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REVIEW 4 major objections 5 minor 300 references

A Theoretical Framework for the Coupling of Macroscale-Nanoscale Mechanochemical Phenomena in Condensed Matter

T0 review · 4 major / 5 minor · reviewed 2026-08-01 · deepseek-v4-flash

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Pith's one-line read A chain-rule decomposition predicts how complex molecular deformations—not just simple pulls along a bond—change reaction barriers, reducing mechanophore activation to structure optimization.

desk verdict Useful empirical observation buried under an overclaimed theoretical framework; the supplement's math has inconsistent factors of 2. read the letter →

arxiv 2607.20217 v1 pith:KUTHNFOY submitted 2026-07-22 cond-mat.soft cond-mat.mtrl-sciphysics.chem-ph

Brenden W Hamilton This is my paper · ORCID
classification cond-mat.softcond-mat.mtrl-sciphysics.chem-ph
keywords mechanochemistryactivationbarrierstrainenergychain-ruledecompositionreactioncoordinateprojectionspiropyranmoleculardynamicsstructureoptimization
verification ladder T0 review T1 audit T2 compute T3 formal

The pith

A machine-rendered reading of the paper's core claim, the machinery that carries it, and where it could break.

The reading

This paper develops a theoretical framework for predicting how complex, non-linear molecular deformations—the kind that occur when a macroscopic strain is applied to a material—change the activation barrier of a mechanochemical reaction. The central claim is that the barrier change can be written, via a chain-rule expansion, as the product of two more easily computed quantities: how sensitive the barrier is to progress along the reaction coordinate, and how much a given molecular strain advances that coordinate. The paper validates the decomposition on the mechanochromic molecule spiropyran using molecular-dynamics simulations with five distinct deformation modes, showing that the barrier's sensitivity to the reaction coordinate is the same for all modes. A sympathetic reader would care because, if correct, the framework turns a costly problem—simulating an entire reaction for each deformation—into a small set of static structure optimizations, making high-level quantum chemistry practical for mechanophore design.

What carries the argument

The load-bearing object is the chain-rule identity ∂ΔE‡_o/∂ΔU_sys = (∂ΔE‡_o/∂ξ)(∂ξ/∂ΔU_sys), together with the projection identity ∂F_ξ/∂ΔU_sys = s·|proj_ξ(ε)|²/|ε|², which states that the component of the molecular strain along the reaction coordinate, squared relative to the total strain, determines how much of the strain energy is transduced into barrier lowering. This identity is what lets the barrier change be rewritten as a product of an intrinsic, deformation-independent quantity and a geometric coupling factor computable from a single structure optimization. The framework's practical workhorse is the claim that ∂ΔE‡_o/∂ξ is independent of the deformation path, validated by the spirop

What would settle it

Take a molecule whose strain energy is not quadratic in the deformation, compute the force along the reaction coordinate and the energy rise over a range of strains, and compare F_ξ/ΔU_sys with the numerically evaluated derivative dF_ξ/dΔU_sys; if they disagree, the central projection identity does not hold outside the harmonic limit.

Watch

Extended reading notes

Core claim

The paper's central claim is that the strain-induced shift in an effective activation barrier, ΔE‡_eff = ΔE‡_o − (∂ΔE‡_o/∂ΔU_sys) ΔU_sys, can be evaluated without simulating every imposed deformation. Through a chain-rule expansion, ∂ΔE‡_o/∂ΔU_sys equals either (∂ΔE‡_o/∂F_ξ)(∂F_ξ/∂ΔU_sys) or (∂ΔE‡_o/∂ξ)(∂ξ/∂ΔU_sys), where ξ is the implicit reaction coordinate. The second form is the practical one: the paper argues that ∂ΔE‡_o/∂ξ is independent of the deformation path—so it needs to be sampled only once—and that the coupling term ∂ξ/∂ΔU_sys can be extracted from constrained geometry optimizations. Applied to spiropyran with five torsional deformation modes, the simulations show that deformati

Load-bearing premise

The derivation assumes the molecule responds as a linear (harmonic) spring—force proportional to deformation—so that the ratio F_ξ/ΔU_sys equals the derivative ∂F_ξ/∂ΔU_sys; for the genuinely nonlinear deformations the paper targets, this equality is not guaranteed.

Editorial extensions

If this is right

  • If correct, predicting a mechanophore's response to an arbitrary local strain reduces to computing one deformation-independent barrier sensitivity and one strain-to-coordinate coupling per deformation, rather than simulating each full reaction path.
  • The five spiropyran deformation modes imply that deformation modes can be classified as activating, inhibiting, or inert purely by how much they project onto the scissile reaction coordinate.
  • The framework allows activation-barrier changes to be estimated with high-level quantum chemical methods, because the required quantities come from static structure optimizations rather than costly steered reaction trajectories.
  • Because ∂ΔE‡_o/∂ξ needs to be sampled only once, adding a new deformation mode to a material model costs only the computation of ∂ξ/∂ΔU_sys.
  • In the single-bond limit, the formula reduces to a closed-form barrier shift proportional to s·cos²θ times the strain energy, giving a simple analytic estimate for bond-stretching mechanophores.

Reading between the lines

Editorial extensions of the paper, not claims the author makes directly.

  • Editorial inference: The same projection logic suggests a design heuristic for mechanophore-containing polymers—engineer the local strain field so that a large fraction of its squared norm lies along the fragile bond's reaction coordinate; this follows directly from the formula but is not stated as a design rule in the paper.
  • Editorial inference: The framework's reliance on a single reaction coordinate could be probed with a two-coordinate model where the transition state shifts; the chain-rule factorization may then require a sum over coordinates rather than a single product.
  • Editorial inference: A natural testable extension is to repeat the spiropyran analysis with a higher-level electronic-structure method; if ∂ΔE‡_o/∂ξ remains deformation-independent there, the method's promise for high-level quantum chemistry is much firmer.
  • Editorial inference: The decomposition suggests a way to upscale from single molecules to condensed matter—couple a continuum strain field to the molecular projection factor to predict activation maps across a stressed material without atomistic resolution everywhere.
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Editorial analysis

A structured set of objections, weighed in public.

Desk editor's note, referee report, and a circularity audit.

Referee Report

4 major / 5 minor

Summary. The paper proposes a chain-rule decomposition of mechanochemical barrier changes: the change in activation energy per unit molecular strain energy is written as a product of either the barrier-force derivative and a force-energy derivative, or the barrier-coordinate derivative and a coordinate-energy derivative. The central projection formula ∂∆E‡/∂∆U_sys = s·|proj_ξ(ε)|²/|ε|² is claimed to be a general, non-perturbative result. The approach is demonstrated on spiropyran using ReaxFF molecular dynamics with five additional torsional deformation paths, showing that the barrier plotted against the chosen reaction coordinate collapses onto a single line.

Significance. If the central projection formula were valid for arbitrary, nonlinear molecular deformations, it would be a substantial practical contribution: it would let one predict mechanophore activation from structure optimizations rather than from explicit simulation of every deformation path, and it would enable high-level quantum chemical methods. The paper also contains a useful organizational idea — separating the barrier-coordinate response from the coordinate-strain-energy response — and the empirical collapse in Figure 3 for five deformations of one molecule is suggestive. However, the derivation as written is not general: all supplement derivations assume quadratic strain energy or a linear force–deformation relation, and the identification of a finite ratio with a partial derivative is valid only in that linear regime. A factor-of-two inconsistency appears in the harmonic derivations themselves. These issues are load-bearing for the abstract's central claim, so the manuscript cannot be accepted in its present form.

major comments (4)
  1. [Supplement, Derivations 1–5] The central projection formula is not consistently derived even in the harmonic limit. Derivations 1–4 use ∆U_sys = ½k|ε|², which implies k = 2∆U_sys/|ε|², but then substitute k = ∆U_sys/|ε|², obtaining F_ξ = ∆U_sys(ε·ξ̂)/|ε|². The correct prefactor is 2. Derivation 5 initially obtains F_ξ = −2∆U_sys(ε·ξ̂)/|ε|² and then cancels the factor of 2 to match. Thus the claimed formula has a factor-of-two error relative to the stated harmonic model.
  2. [Supplement, Derivation 2 and main text, Eqs. (2)–(4)] The replacement of ∂F_ξ/∂∆U_sys by the finite ratio F_ξ/∆U_sys is an identity only when F_ξ is proportional to ∆U_sys, i.e., under linear response. All five derivations assume either ∆U_sys = ½k|ε|² or F_sys = κ·ε with scalar κ. The abstract and introduction nevertheless claim a 'non-perturbative' framework for 'highly non-linear' deformations. No derivation is given outside the harmonic/linear regime, so the central projection formula is not established for the stated scope.
  3. [Main text, Eq. (1) and Figure 3] The factorization ∂∆E‡/∂∆U_sys = (∂∆E‡/∂ξ)(∂ξ/∂∆U_sys) presupposes that the barrier depends on the deformation only through the single coordinate ξ. The only evidence offered is the collapse of five deformation paths in the left panel of Figure 3, from one molecule and one force field, with no error bars. The left panel also plots the same barrier data as Figure 2 against C-O distance, so it tests the adequacy of the chosen coordinate for this system rather than validating the general decomposition. The statement that Figure 3 'validates the assumption' is too strong.
  4. [Main text, Bell-model substitution after Eq. (3)] The substitution ∂∆E‡/∂F_ξ = ∆ξ uses Bell's linear model and treats a finite displacement as a derivative. Combined with the ratio-derivative identification discussed above, the final expression rests on two linear approximations. This is not acknowledged in the paper; in particular, it conflicts with the claimed non-perturbative generality.
minor comments (5)
  1. [Figure 2 caption and text] The text says the x-axis 'directly represents ∂∆E‡/∂∆U_sys sampled from MD'; actually the axis is ∆U_sys and the plotted slope is the derivative. Please rephrase to avoid confusing the variable with the derivative.
  2. [Figure 3] The right panel is called an 'analytical mapping' but it is empirical MD data. Add a statement of the fitting procedure and uncertainty estimates.
  3. [Supplement, notation] There are several typographical/notation issues: 'Fxi|∗|ξ|' and the sign convention for s are unclear; the sign of F_ξ changes between Derivations 1, 4, and 5 without a consistent statement.
  4. [Throughout] The term 'non-perturbative' is never defined. Since the main result is a first-order Taylor-style expansion with linear-response ingredients, the terminology should be justified or removed.
  5. [Main text, 'Central Buckle' discussion] Minor language issues such as 'there is a start difference' and 'The stems from' should be corrected.

Circularity Check

2 steps flagged · score 7.0 of 10

Central projection formula reduces to the harmonic ansatz by construction; same-data decomposition is presented as validation.

  1. self definitional [Supplement, 'Derivations for |∂Fξ|/∂∆Usys', Derivations 1–2; main text, unnumbered equation after Bell substitution]
    "Given: Fsys = κ∗ϵ where κ is some scalar constant. ... κ = ∆Usys/|ϵ|^2 ... Fξ = ∆Usys· projξ(ϵ)/|ϵ|^2 ... ∂|Fξ|/∂∆Usys = s∗|projξ(ϵ)|^2/|ϵ|^2|ξ|"

    The coupling term is not derived as a general, non-perturbative result; it is obtained by substituting κ = ∆Usys/|ϵ|² into the assumed Hookean relation Fsys = κϵ and then identifying the ratio Fξ/∆Usys with the partial derivative ∂Fξ/∂∆Usys. The final projected-strain fraction is exactly the derivative of the quadratic energy ∆Usys = ½k|ϵ|² that constitutes the input, so the central 'prediction' is an algebraic rearrangement of the harmonic ansatz. Moreover, using the stated k = 2∆Usys/|ϵ|² consistently gives Fξ = −2∆Usys(ϵ·ξ̂)/|ϵ|², so the published factor-1 formula is also internally inconsistent.

  2. fitted input called prediction [Figure 3 and 'Molecular dynamics simulations validate the assumptions...' paragraph]
    "Figure 3 represents an analytical approach to assessing ∂∆E‡_o/∂ξ ∂ξ/∂∆Usys, breaking the data from Figure 2 into the two partial derivatives. ... The left panel ... cleanly shows all 5 deformation paths falling onto a single line. This validates the assumption above that ∂∆E‡_o/∂ξ is independent of ϵ and U."

    The linear ∂∆E‡_o/∂ξ is obtained by fitting the same five ReaxFF trajectories whose ∂ξ/∂∆Usys is plotted in the right panel; multiplying the two factors reconstructs the barrier data of Figure 2 by the chain rule. Treating this same-data decomposition as a validation of the predictive claim ('abates the need for computationally expensive molecular dynamics simulations') is a re-plot of the fitting data rather than an independent prediction: no held-out deformation, independent force field, or separately computed ∂ξ/∂∆Usys is tested.

full rationale

The central claim—non-perturbative prediction of barrier changes from structure optimization—rests on the projection formula ∂Fξ/∂∆Usys = s|projξ(ϵ)|²/(|ϵ|²|ξ|). The supplement derives that formula from the harmonic identities ∆Usys = ½k|ϵ|² and Fsys = κϵ with κ = ∆Usys/|ϵ|², so the formula is the input stress-strain ansatz restated in projection variables. The factor-of-2 inconsistency further shows the derivation is not a robust first-principles result. The spiropyran demonstration is a same-data decomposition: Figure 3 explicitly 'break[s] the data from Figure 2 into the two partial derivatives,' so the chain-rule recovery of Figure 2 is by construction and does not independently validate the formula. The self-citations (MBsMD methods, deformation-path selection, previous shock/spallation work) are methodological and not load-bearing; no uniqueness theorem is imported. The empirical five-path collapse onto one line and the use of the standard Bell model provide some independent content, preventing a score of 9–10, but the central 'prediction' is substantially forced by the harmonic input and the same fitted data.

Assumptions & free parameters 3 free parameters · 7 assumptions · 0 invented entities

The framework rests on (i) a linear-response core contradicting its nonlinear billing, (ii) an unstated ratio=derivative identification, and (iii) empirical path-independence supported by one molecule and one force field. The spiropyran demonstration contributes data but no new constants of nature and no invented entities. The net ledger: 'non-perturbative' generality is an axiom, mode-independence is a single-molecule empirical conjecture, and the practical structure-optimization workflow is asserted, not validated.

free parameters (3)
  • Barrier–coordinate slope ∂∆E‡/∂ξ (linear fit) = Not stated numerically; slope of the collapsed line in Figure 3 (left)
    Fit to the five ReaxFF deformation runs; the paper states ∂∆E‡/∂ξ 'can be readily approximated by a simple linear function' and then uses this fitted slope to reproduce barrier changes, making the demonstration a refit rather than a prediction.
  • Harmonic stiffness k = Defined as ∆U_sys/|ε|² (Derivations 1–4) and 2∆U_sys/|ε|² (Derivation 5)
    Ad hoc constant introduced to express F_ξ in terms of ∆U_sys; the factor-of-2 disagreement between derivations is never resolved and changes the resulting expression by 2×.
  • MBsMD torsional field strengths (5 deformation paths) = Not reported (deferred to absent Supplemental Materials)
    The magnitude of each external torsional field sets the deformation energy range; the reported barrier-change curves depend on these simulation controls, and neither values nor calibration protocols are given.
assumptions (7)
  • ad hoc to paper Harmonic strain energy: ∆U_sys = ½k|ε|²
    Invoked in Supplement Derivations 1, 4, 5 to derive F_ξ = ∆U·proj/|ε|²; contradicts the paper's claim of validity for 'highly non-linear' deformations.
  • ad hoc to paper Linear force–deformation response: F_sys = κ·ε for a scalar κ
    Supplement Derivation 2 — this is Hooke's law; the central projection formula is an algebraic consequence of it, so the 'framework' inherits linear-response validity only.
  • ad hoc to paper ∂F_ξ/∂∆U_sys = F_ξ/∆U_sys (ratio treated as partial derivative)
    All five derivations compute the endpoint ratio and the main text labels it a partial derivative; the identification holds only for linear response and is unstated.
  • domain assumption Path-independence of ∂∆E‡_o/∂ξ with respect to deformation mode ε
    Framing claim that the barrier slope depends only on the coordinate ξ; supported only by the empirical collapse in Figure 3 (left) for one molecule and one force field, with admitted deviations for the Central Twist at large deformation.
  • domain assumption |proj_ξ(ε)| = |ξ| when ε does not change the path of ξ
    Supplement paragraph 'From there...'; used to strip |ξ| from the projection factor; restricts the deformation to ones that leave the reaction path geometry unchanged.
  • domain assumption Bell-model linear barrier response: ∂∆E‡_o/∂F_ξ = ∆ξ
    Main text adopts the Bell model for the force-side factor; assumes the barrier decreases linearly with force along the implicit coordinate over the whole strain range.
  • domain assumption ReaxFF accuracy for spiropyran ring-opening barriers
    All demonstration numbers come from one classical reactive force field (refs 56, 57); no quantum-chemical benchmark is provided for the barrier response, despite the abstract claiming compatibility with 'high level quantum chemical methods'.

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Cite this review

Pith. "Pith review of A Theoretical Framework for the Coupling of Macroscale-Nanoscale Mechanochemical Phenomena in Condensed Matter." pith.science (2026). https://pith.science/paper/KUTHNFOY

@misc{pith2026260720217,
  author       = {Pith},
  title        = {Pith review of: A Theoretical Framework for the Coupling of Macroscale-Nanoscale Mechanochemical Phenomena in Condensed Matter},
  year         = {2026},
  howpublished = {\url{https://pith.science/paper/KUTHNFOY}},
  note         = {Machine review of arXiv:2607.20217}
}
read the original abstract

The field of covalent mechanochemistry has transitioned from fundamental science to engineering applications, yet it lacks a robust theoretical framework for predicting reaction kinetics in condensed matter. Existing analytical models fail under realistic conditions where macroscopic strains drive molecular-scale deformations that are highly non-linear. We develop a non-perturbative theoretical framework that captures activation barrier changes in highly strained molecules undergoing complex, non-linear deformations, describing the macroscale-nanoscale coupling of phenomena. The framework yields general expressions, parameterizable from atomistic simulations, enabling multiscale prediction of mechanochemical behavior. By presenting the expressions in terms of general observables, this work enables predictions of mechanochemical effects from simple structure optimization calculations, enabling the use of high level quantum chemical methods. We demonstrate this approach on the mechanochromic polymer spiropyran, showing how non-linear strain fields govern mechanophore activation.

Figures

Figures reproduced from arXiv: 2607.20217 by the authors.

Figure 1
Figure 1. Atoms in the spiropyran molecule involved in the torsional deformation for each [PITH_FULL_IMAGE:figures/full_fig_p005_1.png] view at source ↗
Figure 2
Figure 2. The effective activation barrier of the ring opening reaction for each deformation [PITH_FULL_IMAGE:figures/full_fig_p006_2.png] view at source ↗
Figure 3
Figure 3. The effective activation barrier as a function of the reaction coordinate and the [PITH_FULL_IMAGE:figures/full_fig_p007_3.png] view at source ↗

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Works this paper leans on

300 extracted references · 24 canonical work pages

  1. [1]

    Oil & Gas Science and Technology--Revue d’IFP Energies nouvelles , volume=

    A review of kinetic modeling methodologies for complex processes , author=. Oil & Gas Science and Technology--Revue d’IFP Energies nouvelles , volume=. 2016 , publisher=

    2016

  2. [2]

    Chemical reviews , volume=

    Theoretical chemical kinetics in tropospheric chemistry: methodologies and applications , author=. Chemical reviews , volume=. 2015 , publisher=

    2015

  3. [3]

    Energy & Fuels , volume=

    Critical review of the global chemical kinetics of cellulose thermal decomposition , author=. Energy & Fuels , volume=. 2015 , publisher=

    2015

  4. [4]

    Chemical reviews , volume=

    Modeling the kinetics of bimolecular reactions , author=. Chemical reviews , volume=. 2006 , publisher=

    2006

  5. [5]

    Chemical reviews , volume=

    Kinetic and catalytic mechanisms of protein kinases , author=. Chemical reviews , volume=. 2001 , publisher=

    2001

  6. [6]

    Nature Reviews Chemistry , volume=

    The many flavours of mechanochemistry and its plausible conceptual underpinnings , author=. Nature Reviews Chemistry , volume=. 2021 , publisher=

    2021

  7. [7]

    Angewandte Chemie , volume=

    Switching chemoselectivity: using mechanochemistry to alter reaction kinetics , author=. Angewandte Chemie , volume=. 2018 , publisher=

    2018

  8. [8]

    Heliyon , volume=

    Linking mechanochemistry with the green chemistry principles , author=. Heliyon , volume=. 2024 , publisher=

    2024

Show all 300 references
  1. [9]

    Journal of Controlled Release , volume=

    Polymer mechanochemistry in drug delivery: From controlled release to precise activation , author=. Journal of Controlled Release , volume=. 2024 , publisher=

    2024

  2. [10]

    Advanced drug delivery reviews , volume=

    Cell responses to the mechanochemical microenvironment—implications for regenerative medicine and drug delivery , author=. Advanced drug delivery reviews , volume=. 2007 , publisher=

    2007

  3. [11]

    Chemical Society Reviews , volume=

    Application of heterogeneous catalysts prepared by mechanochemical synthesis , author=. Chemical Society Reviews , volume=. 2013 , publisher=

    2013

  4. [12]

    Catalysis Today , volume=

    Mechanochemical activation as a tool of increasing catalytic activity , author=. Catalysis Today , volume=. 2009 , publisher=

    2009

  5. [13]

    Nature Communications , volume=

    Mechanochemically responsive polymer enables shockwave visualization , author=. Nature Communications , volume=. 2024 , publisher=

    2024

  6. [14]

    Journal of the American Chemical Society , volume=

    Structure--mechanochemical activity relationships for cyclobutane mechanophores , author=. Journal of the American Chemical Society , volume=. 2011 , publisher=

    2011

  7. [15]

    Journal of the American Chemical Society , volume=

    Substituent effects and mechanism in a mechanochemical reaction , author=. Journal of the American Chemical Society , volume=. 2018 , publisher=

    2018

  8. [16]

    Journal of the American Chemical Society , volume=

    Relative mechanical strengths of weak bonds in sonochemical polymer mechanochemistry , author=. Journal of the American Chemical Society , volume=. 2015 , publisher=

    2015

  9. [17]

    Journal of the American Chemical Society , volume=

    Validation of the CoGEF method as a predictive tool for polymer mechanochemistry , author=. Journal of the American Chemical Society , volume=. 2020 , publisher=

    2020

  10. [18]

    Journal of the American Chemical Society , volume=

    Mechanochemical Synthesis and Fluorescence Reporting of Conjugated Polymers through Flex-Activation , author=. Journal of the American Chemical Society , volume=. 2026 , publisher=

    2026

  11. [19]

    Journal of the American Chemical Society , volume=

    Mechanochemistry of spiropyran under internal stresses of a glassy polymer , author=. Journal of the American Chemical Society , volume=. 2022 , publisher=

    2022

  12. [20]

    Chemical Society Reviews , volume=

    Hallmarks of mechanochemistry: from nanoparticles to technology , author=. Chemical Society Reviews , volume=. 2013 , publisher=

    2013

  13. [21]

    Nguyen and Yen-Thi Nguyen and Joseph B

    Phong C.H. Nguyen and Yen-Thi Nguyen and Joseph B. Choi and Pradeep K. Seshadri and H. S. Udaykumar and Stephen S. Baek , title =. Science Advances , volume =. 2023 , doi =. https://www.science.org/doi/pdf/10.1126/sciadv.add6868 , abstract =

    2023 doi

  14. [22]

    Physical review letters , volume=

    Atomic force microscope , author=. Physical review letters , volume=. 1986 , publisher=

    1986

  15. [23]

    Angewandte Chemie International Edition , volume=

    Force spectroscopy of molecular systems—single molecule spectroscopy of polymers and biomolecules , author=. Angewandte Chemie International Edition , volume=. 2000 , publisher=

    2000

  16. [24]

    Chemistry--A European Journal , volume=

    Stretching single molecules along unbinding and unfolding pathways with the scanning force microscope , author=. Chemistry--A European Journal , volume=. 2000 , publisher=

    2000

  17. [25]

    Annual review of biochemistry , volume=

    Mechanical processes in biochemistry , author=. Annual review of biochemistry , volume=. 2004 , publisher=

    2004

  18. [26]

    High-resolution, single-molecule measurements of biomolecular motion , author=. Annu. Rev. Biophys. Biomol. Struct. , volume=. 2007 , publisher=

    2007

  19. [27]

    Nature , volume=

    Biasing reaction pathways with mechanical force , author=. Nature , volume=. 2007 , publisher=

    2007

  20. [28]

    Angewandte Chemie International Edition , volume=

    Forcing and controlling chemical reactions with ultrasound , author=. Angewandte Chemie International Edition , volume=. 2007 , publisher=

    2007

  21. [29]

    Nature nanotechnology , volume=

    A molecular force probe , author=. Nature nanotechnology , volume=. 2009 , publisher=

    2009

  22. [30]

    Journal of Applied Physics , volume=

    Energy localization efficiency in 1, 3, 5-trinitro-2, 4, 6-triaminobenzene pore collapse mechanisms , author=. Journal of Applied Physics , volume=. 2023 , publisher=

    2023

  23. [31]

    The Journal of Physical Chemistry C , year=

    Intergranular Hotspots: A Molecular Dynamics Study on the Influence of Compressive and Shear Work , author=. The Journal of Physical Chemistry C , year=

  24. [32]

    Using limited neural networks to assess relative mechanistic influence on shock heating in granular solids , author =. Phys. Rev. Mater. , volume =. 2023 , month =. doi:10.1103/PhysRevMaterials.7.085601 , url =

    2023 doi

  25. [33]

    and Appleton, Robert J

    Li, Chunyu and Verduzco, Juan Carlos and Lee, Brian H. and Appleton, Robert J. and Strachan, Alejandro , title=. npj Computational Materials , year=. doi:10.1038/s41524-023-01134-0 , url=

    doi

  26. [34]

    The Journal of Chemical Physics , volume=

    High-pressure and temperature neural network reactive force field for energetic materials , author=. The Journal of Chemical Physics , volume=. 2023 , pages=

    2023

  27. [35]

    Chemistry International , volume=

    IUPAC Top Ten Emerging Technologies in Chemistry 2021 , author=. Chemistry International , volume=. 2021 , publisher=

    2021

  28. [36]

    Angewandte Chemie , volume=

    Mechanocatalytic Room-Temperature Synthesis of Ammonia from Its Elements Down to Atmospheric Pressure , author=. Angewandte Chemie , volume=. 2021 , publisher=

    2021

  29. [37]

    ChemSusChem , pages=

    Mechanochemical Ammonia Synthesis: Old is New Again , author=. ChemSusChem , pages=. 2023 , publisher=

    2023

  30. [38]

    Chemistry International , volume=

    Ten Chemical Innovations That Will Change Our World: IUPAC identifies emerging technologies in Chemistry with potential to make our planet more sustainable , author=. Chemistry International , volume=. 2019 , publisher=

    2019

  31. [39]

    Angewandte Chemie International Edition , volume=

    Analyzing reaction rates with the distortion/interaction-activation strain model , author=. Angewandte Chemie International Edition , volume=. 2017 , publisher=

    2017

  32. [40]

    Proceedings of the Royal Society of London

    The theory of reactions involving proton transfers , author=. Proceedings of the Royal Society of London. Series A-Mathematical and Physical Sciences , volume=. 1936 , publisher=

    1936

  33. [41]

    Transactions of the Faraday Society , volume=

    Further considerations on the thermodynamics of chemical equilibria and reaction rates , author=. Transactions of the Faraday Society , volume=. 1936 , publisher=

    1936

  34. [42]

    The Journal of Physical Chemistry Letters , volume=

    Interplay of mechanochemistry and material processes in the graphite to diamond phase transformation , author=. The Journal of Physical Chemistry Letters , volume=. 2023 , publisher=

    2023

  35. [43]

    Nature Reviews Methods Primers , volume=

    Ball milling for mechanochemical reactions , author=. Nature Reviews Methods Primers , volume=. 2025 , publisher=

    2025

  36. [44]

    Chemical Society Reviews , volume=

    On the mechanochemical activation by ultrasound , author=. Chemical Society Reviews , volume=. 2013 , publisher=

    2013

  37. [45]

    Chemical reviews , volume=

    Mechanochemistry: the mechanical activation of covalent bonds , author=. Chemical reviews , volume=. 2005 , publisher=

    2005

  38. [46]

    Journal of the American Chemical Society , volume=

    A remote stereochemical lever arm effect in polymer mechanochemistry , author=. Journal of the American Chemical Society , volume=. 2014 , publisher=

    2014

  39. [47]

    Nano Letters , year=

    Mechanochemically Activated Carbon for Achieving CO2 Chemisorption under Mild Conditions without Chemical Treatment , author=. Nano Letters , year=

  40. [48]

    Nano Letters , volume=

    Charge redistribution in mechanochemical reactions for solid interfaces , author=. Nano Letters , volume=. 2024 , publisher=

    2024

  41. [49]

    Nano letters , volume=

    Mechanochemical delivery and dynamic tracking of fluorescent quantum dots in the cytoplasm and nucleus of living cells , author=. Nano letters , volume=. 2009 , publisher=

    2009

  42. [50]

    Nano Letters , volume=

    A pH and Light Dual-Responsive Spiropyran-Peptide Self-Assembly for Controlled Mitochondria and Nucleus Targeting , author=. Nano Letters , volume=. 2025 , publisher=

    2025

  43. [51]

    artificial solvent

    Polysilsesquioxane nanowire networks as an “artificial solvent” for reversible operation of photochromic molecules , author=. Nano letters , volume=. 2019 , publisher=

    2019

  44. [52]

    Nano Letters , volume=

    A nonvolatile plasmonic switch employing photochromic molecules , author=. Nano Letters , volume=. 2008 , publisher=

    2008

  45. [53]

    Nano Letters , volume=

    Engineering liquid metal particles: design rules for sonication-based methods , author=. Nano Letters , volume=. 2025 , publisher=

    2025

  46. [54]

    Nano Letters , volume=

    Unidirectional drug delivery and responsive release guided by nanofunnel-shaped heterojunction , author=. Nano Letters , volume=. 2025 , publisher=

    2025

  47. [55]

    The Journal of Physical Chemistry C , volume=

    Influence of pore surface structure and contents on shock-induced collapse and energy localization , author=. The Journal of Physical Chemistry C , volume=. 2023 , publisher=

    2023

  48. [56]

    The Journal of chemical physics , volume=

    Liquid drops of polar molecules , author=. The Journal of chemical physics , volume=. 1986 , publisher=

    1986

  49. [57]

    The Journal of Chemical Physics , volume=

    The method of planes pressure tensor for a spherical subvolume , author=. The Journal of Chemical Physics , volume=. 2014 , publisher=

    2014

  50. [58]

    Proceedings of the Royal Society of London

    Statistical mechanics of inhomogeneous fluids , author=. Proceedings of the Royal Society of London. A. Mathematical and Physical Sciences , volume=. 1982 , publisher=

    1982

  51. [59]

    Journal of materials Science , volume=

    The yield behaviour of polymers , author=. Journal of materials Science , volume=. 1971 , publisher=

    1971

  52. [60]

    Tribology Letters , volume=

    On the commonality between theoretical models for fluid and solid friction, wear and tribochemistry , author=. Tribology Letters , volume=. 2015 , publisher=

    2015

  53. [61]

    AIP conference proceedings , volume=

    Ignition chemistry in HMX from thermal explosion to detonation , author=. AIP conference proceedings , volume=. 2002 , organization=

    2002

  54. [62]

    Chemical Society Reviews , volume=

    Mechanochemistry: opportunities for new and cleaner synthesis , author=. Chemical Society Reviews , volume=. 2012 , publisher=

    2012

  55. [63]

    Chemical Society Reviews , volume=

    Mechanochemistry , author=. Chemical Society Reviews , volume=. 2013 , publisher=

    2013

  56. [64]

    Angewandte Chemie , volume=

    Mechanochemistry for synthesis , author=. Angewandte Chemie , volume=. 2020 , publisher=

    2020

  57. [65]

    Physical Review Materials , volume=

    Rapid Activation of Non-Oriented Mechanophores via Shock Loading and Spallation , author=. Physical Review Materials , volume=. 2023 , publisher=

    2023

  58. [66]

    Chemical reviews , volume=

    Asymmetric photochemical reactions in solution , author=. Chemical reviews , volume=. 1992 , publisher=

    1992

  59. [67]

    Transactions of the Faraday Society , volume=

    Elementary processes of photochemical reactions , author=. Transactions of the Faraday Society , volume=. 1926 , publisher=

    1926

  60. [68]

    Chemical reviews , volume=

    Photochemical reactions as key steps in organic synthesis , author=. Chemical reviews , volume=. 2008 , publisher=

    2008

  61. [69]

    2000 , publisher=

    Electrochemical reactions and mechanisms in organic chemistry , author=. 2000 , publisher=

    2000

  62. [70]

    Mechanistic aspects , author=

    Molecular catalysis of electrochemical reactions. Mechanistic aspects , author=. Chemical Reviews , volume=. 2008 , publisher=

    2008

  63. [71]

    Progress in Materials Science , volume=

    Mechanochemical synthesis of hydrogen storage materials , author=. Progress in Materials Science , volume=. 2013 , publisher=

    2013

  64. [72]

    Chemical Science , volume=

    Multicomponent mechanochemical synthesis , author=. Chemical Science , volume=. 2018 , publisher=

    2018

  65. [73]

    Angewandte Chemie International Edition in English , volume=

    The conservation of orbital symmetry , author=. Angewandte Chemie International Edition in English , volume=. 1969 , publisher=

    1969

  66. [74]

    Marco and Klein, Michael L

    Saitta, A. Marco and Klein, Michael L. , doi =. Journal of the American Chemical Society , number =. arXiv , arxivId =:9910219 , file =

  67. [75]

    and Landis, Steven and Sun, Yuanyuan and Li, Jinjin and Zhu, Peng and Doherty, Michael F

    Zhao, Yongsheng and Tilbury, Carl J. and Landis, Steven and Sun, Yuanyuan and Li, Jinjin and Zhu, Peng and Doherty, Michael F. , doi =. Crystal Growth and Design , number =

  68. [76]

    and Udaykumar, H

    Das, Pratik and Rai, Nirmal K. and Udaykumar, H. S. , doi =

  69. [77]

    and Germann, Timothy C

    Cherukara, Mathew J. and Germann, Timothy C. and Kober, Edward M. and Strachan, Alejandro , doi =. Journal of Physical Chemistry C , number =

  70. [78]

    Materials , keywords =

    Wang, Yuqiao and Li, Xin and Chen, Shusen and Ma, Xiao and Yu, Ziyang and Jin, Shaohua and Li, Lijie and Chen, Yu , doi =. Materials , keywords =

  71. [79]

    and An, Qi and Goddard, William A

    Guo, Dezhou and Zybin, Sergey V. and An, Qi and Goddard, William A. and Huang, Fenglei , doi =. Physical Chemistry Chemical Physics , number =

  72. [80]

    and Leiding, Jeff and Tao, Hongli and Virshup, Aaron M

    Ong, Mitchell T. and Leiding, Jeff and Tao, Hongli and Virshup, Aaron M. and Mart. Journal of the American Chemical Society , number =. doi:10.1021/ja8095834 , file =

    doi

  73. [81]

    Butler, T. M. and Senkov, O. N. and Daboiku, T. I. and Velez, M. A. and Schroader, H. E. and Ware, L. G. and Titus, M. S. , doi =. Intermetallics , keywords =

  74. [82]

    and Welton, Theodore A

    Callen, Herbert B. and Welton, Theodore A. , doi =. Physical Review , number =

  75. [83]

    Journal of Chemical Physics , number =

    M. Journal of Chemical Physics , number =. doi:10.1063/1.473271 , file =

    doi

  76. [84]

    and Schuh, Christopher A

    Hassani, Mostafa and Veysset, David and Nelson, Keith A. and Schuh, Christopher A. , doi =. Scripta Materialia , keywords =

  77. [85]

    Physical Chemistry Chemical Physics , number =

    Yu, Qian and Zhao, Chuande and Liao, Longyu and Li, Hongzhen and Sui, Heliang and Yin, Ying and Li, Jinshan , doi =. Physical Chemistry Chemical Physics , number =

  78. [86]

    and Olafson, Barry D

    Mayo, Stephen L. and Olafson, Barry D. and Goddard, William A. , doi =. Journal of Physical Chemistry , number =

  79. [87]

    and Andrews, S

    Ticknor, C. and Andrews, S. A. and Leiding, J. A. , doi =. AIP Conference Proceedings , number =

  80. [88]

    Acta Materialia , keywords =

    Bell. Acta Materialia , keywords =. doi:10.1016/j.actamat.2021.116686 , file =

    2021

  81. [89]

    and Goddard, William A

    Zybin, Sergey V. and Goddard, William A. and Xu, Peng and. Applied Physics Letters , number =. doi:10.1063/1.3323103 , file =

    doi

  82. [90]

    Stacer, R. G. and Husband, D. M. , journal =

  83. [91]

    Maillet, J. B. and Bourasseau, E. and Desbiens, N. and Vallverdu, G. and Stoltz, G. , doi =. Epl , number =

  84. [92]

    Riad and Gee, Richard H

    Manaa, M. Riad and Gee, Richard H. and Fried, Laurence E. , doi =. Journal of Physical Chemistry A , number =

  85. [93]

    and Cherukara, Mathew J

    Wood, Mitchell A. and Cherukara, Mathew J. and Kober, Edward M. and Strachan, Alejandro , doi =. Journal of Physical Chemistry C , number =

  86. [94]

    and Lomdahl, Peter S

    Kadau, Kai and Germann, Timothy C. and Lomdahl, Peter S. and Holian, Brad Lee , doi =. Science , number =

  87. [95]

    and Fried, Laurence E

    Wu, Christine J. and Fried, Laurence E. and Yang, Lin H. and Goldman, Nir and Bastea, Sorin , doi =. Nature Chemistry , number =

  88. [96]

    Cates, J. E. and Sturtevant, B. , doi =. Physics of Fluids , number =

  89. [97]

    and Sha, Ye and Xu, Enhua and Shannahan, Logan and Fermen-Coker, Muge and Lin, Yangju and Tang, Chuanbing and Craig, Stephen L

    Zhang, Yudi and Wang, Zi and Kouznetsova, Tatiana B. and Sha, Ye and Xu, Enhua and Shannahan, Logan and Fermen-Coker, Muge and Lin, Yangju and Tang, Chuanbing and Craig, Stephen L. , doi =. Nature Chemistry , number =

  90. [98]

    Wear , keywords =

    Oka, Yoshinori Isomoto and Nagahashi, Kazuo and Ishii, Yukimasa and Kobayashi, Yasuo and Tsumura, Toshinori , doi =. Wear , keywords =

  91. [99]

    Journal of Physical Chemistry C , number =

    Banlusan, Kiettipong and Strachan, Alejandro , doi =. Journal of Physical Chemistry C , number =

  92. [100]

    and Ravasio, A

    Kraus, D. and Ravasio, A. and Gauthier, M. and Gericke, D. O. and Vorberger, J. and Frydrych, S. and Helfrich, J. and Fletcher, L. B. and Schaumann, G. and Nagler, B. and Barbrel, B. and Bachmann, B. and Gamboa, E. J. and G. Nature Communications , pages =. doi:10.1038/ncomms1...

    doi

  93. [101]

    and Dlott, Dana D

    Zhou, Xuan and Miao, Yurun and Suslick, Kenneth S. and Dlott, Dana D. , doi =. Accounts of Chemical Research , number =

  94. [102]

    Journal of Physical Chemistry C , number =

    Islam, Md Mahbubul and Strachan, Alejandro , doi =. Journal of Physical Chemistry C , number =

  95. [103]

    and Hong, Sungwook and Islam, Md Mahbubul and Kylasa, Sudhir B

    Senftle, Thomas P. and Hong, Sungwook and Islam, Md Mahbubul and Kylasa, Sudhir B. and Zheng, Yuanxia and Shin, Yun Kyung and Junkermeier, Chad and Engel-Herbert, Roman and Janik, Michael J. and Aktulga, Hasan Metin and Verstraelen, Toon and Grama, Ananth and. npj Computationa...

    2015 doi

  96. [104]

    Proceedings of the National Academy of Sciences of the United States of America , keywords =

    Morawietz, Tobias and Singraber, Andreas and Dellago, Christoph and Behler, J. Proceedings of the National Academy of Sciences of the United States of America , keywords =. doi:10.1073/pnas.1602375113 , eprint =

    doi

  97. [105]

    Physical Review Letters , number =

    Dammak, Hichem and Chalopin, Yann and Laroche, Marine and Hayoun, Marc and Greffet, Jean Jacques , doi =. Physical Review Letters , number =

  98. [106]

    and Davis, Douglas A

    Lee, Corissa K. and Davis, Douglas A. and White, Scott R. and Moore, Jeffrey S. and Sottos, Nancy R. and Braun, Paul V. , doi =. Journal of the American Chemical Society , number =

  99. [107]

    and Brunton, Steven L

    Rudy, Samuel H. and Brunton, Steven L. and Proctor, Joshua L. and Kutz, J. Nathan , doi =. Science Advances , number =. arXiv , arxivId =:1609.06401 , file =

    arXiv

  100. [108]

    Journal of Chemical Physics , number =

    Bunker, Don L and Hase, W L , file =. Journal of Chemical Physics , number =

  101. [109]

    and Gaston, Derek R

    Permann, Cody J. and Gaston, Derek R. and Andr. SoftwareX , keywords =. doi:10.1016/j.softx.2020.100430 , eprint =

    2020

  102. [110]

    Physical Review Letters , number =

    Strachan, Alejandro and. Physical Review Letters , number =. doi:10.1103/PhysRevLett.94.014301 , file =

    doi

  103. [111]

    and Fried, Laurence E

    Reed, Evan J. and Fried, Laurence E. and Henshaw, William D. and Tarver, Craig M. , doi =. Physical Review E - Statistical, Nonlinear, and Soft Matter Physics , number =

  104. [112]

    Journal of Computational Physics , number =

    Plimpton, Steve , doi =. Journal of Computational Physics , number =

  105. [113]

    John, S. T. and Cs. Journal of Physical Chemistry B , number =. doi:10.1021/acs.jpcb.7b09636 , eprint =

    doi

  106. [114]

    and Lui, Pak and Spiga, Filippo and Millan, Jaime A

    Glaser, Jens and Nguyen, Trung Dac and Anderson, Joshua A. and Lui, Pak and Spiga, Filippo and Millan, Jaime A. and Morse, David C. and Glotzer, Sharon C. , doi =. Computer Physics Communications , keywords =. arXiv , arxivId =:1412.3387 , file =

    arXiv

  107. [115]

    Barnes, Brian C. , doi =. AIP Conference Proceedings , number =

  108. [116]

    Lin, Stephen and Gan, Zhengtao and Yan, Jinhui and Wagner, Gregory J. , doi =. Computer Methods in Applied Mechanics and Engineering , keywords =

  109. [117]

    Neal, W. D. and Chapman, D. J. and Proud, W. G. , doi =. EPJ Applied Physics , number =

  110. [118]

    Science and Technology of Energetic Materials , keywords =

    Nouguez, Bruno and Mah. Science and Technology of Energetic Materials , keywords =

  111. [119]

    Cawkwell, M. J. and Sewell, Thomas D. and Zheng, Lianqing and Thompson, Donald L. , doi =. Physical Review B - Condensed Matter and Materials Physics , number =

  112. [120]

    npj Computational Materials , number =

    Wang, Wujie and G. npj Computational Materials , number =. doi:10.1038/s41524-019-0261-5 , eprint =

    doi

  113. [121]

    Dienes, J. K. and Zuo, Q. H. and Kershner, J. D. , doi =. Journal of the Mechanics and Physics of Solids , keywords =

  114. [122]

    and Li, Chunyu and Hamilton, Brenden W

    Duarte, Camilo A. and Li, Chunyu and Hamilton, Brenden W. and Strachan, Alejandro and Koslowski, Marisol , doi =. Journal of Applied Physics , number =

  115. [123]

    and Zybin, Sergey V

    Guo, Dezhou and An, Qi and Goddard, William A. and Zybin, Sergey V. and Huang, Fenglei , doi =. Journal of Physical Chemistry C , number =

  116. [124]

    Kissinger, Homer E. , doi =. Journal of Research of the National Bureau of Standards , number =

  117. [125]

    Osinski, G. R. and Cockell, C. S. and Pontefract, A. and Sapers, H. M. , doi =. Astrobiology , keywords =

  118. [126]

    and Soulard, Laurent and Pineau, Nicolas , doi =

    Lecoutre, Gautier and Lemarchand, Claire A. and Soulard, Laurent and Pineau, Nicolas , doi =. Macromolecular Theory and Simulations , keywords =

  119. [127]

    and Rowley, Clarence W

    Otto, Samuel E. and Rowley, Clarence W. , doi =. SIAM Journal on Applied Dynamical Systems , keywords =. arXiv , arxivId =:1712.01378 , file =

    arXiv

  120. [128]

    and Zhou, Xuan and Ihara, Hoya and Dlott, Dana D

    Johnson, Belinda P. and Zhou, Xuan and Ihara, Hoya and Dlott, Dana D. , doi =. Journal of Physical Chemistry A , number =

  121. [129]

    and Sewell, Tommy and Thompson, Donald L

    Mathew, Nithin and Kroonblawd, Matthew P. and Sewell, Tommy and Thompson, Donald L. , doi =. Molecular Simulation , keywords =

  122. [130]

    and Aktulga, H

    Thompson, Aidan P. and Aktulga, H. Metin and Berger, Richard and Bolintineanu, Dan S. and Brown, W. Michael and Crozier, Paul S. and. Computer Physics Communications , keywords =. doi:10.1016/j.cpc.2021.108171 , file =

    2021

  123. [131]

    Angewandte Chemie - International Edition , keywords =

    Stauch, Tim and Dreuw, Andreas , doi =. Angewandte Chemie - International Edition , keywords =

  124. [132]

    and Jackson, Nicholas E

    de Pablo, Juan J. and Jackson, Nicholas E. and Webb, Michael A. and Chen, Long Qing and Moore, Joel E. and Morgan, Dane and Jacobs, Ryan and Pollock, Tresa and Schlom, Darrell G. and Toberer, Eric S. and Analytis, James and Dabo, Ismaila and DeLongchamp, Dean M. and Fiete, Gre...

  125. [133]

    Manaa, M R and Goldman, N and Fried, L E , file =. Proc. 15th International Detonation Symposium , pages =

  126. [134]

    and Sewell, Thomas D

    Kroonblawd, Matthew P. and Sewell, Thomas D. and Maillet, Jean Bernard , doi =. Journal of Chemical Physics , number =

  127. [135]

    and Hamilton, Andrew and Yang, Jinglei and Cremar, Lee D

    Davis, Douglas A. and Hamilton, Andrew and Yang, Jinglei and Cremar, Lee D. and. Nature , number =. doi:10.1038/nature07970 , file =

    doi

  128. [136]

    Los Alamos National Laboratory , number =

    Menikoff, Ralph , file =. Los Alamos National Laboratory , number =

  129. [137]

    David , doi =

    Mermin, N. David , doi =. Physical Review , number =

  130. [138]

    and Sewell, Thomas D

    Eason, Reilly M. and Sewell, Thomas D. , doi =. Journal of Physical Chemistry C , number =

  131. [139]

    and Goldman, Nir and Lewicki, James P

    Kroonblawd, Matthew P. and Goldman, Nir and Lewicki, James P. , doi =. Journal of Physical Chemistry B , number =

  132. [140]

    Molecular Physics , keywords =

    Wolinski, Krzysztof and Baker, Jon , doi =. Molecular Physics , keywords =

  133. [141]

    Journal of Computer-Aided Materials Design , keywords =

    Cuiti. Journal of Computer-Aided Materials Design , keywords =. doi:10.1023/A:1020012431230 , file =

    doi

  134. [142]

    and Paulson, Shane and Chen, Weinong and Son, Steven F

    Dandekar, Akshay and Roberts, Zane A. and Paulson, Shane and Chen, Weinong and Son, Steven F. and Koslowski, Marisol , doi =. Computational Materials Science , keywords =

  135. [143]

    arXiv: 1503.03894 , title =

    Haley, Benjamin P and Wilson, Nate and Li, Chunyu and Arguelles, Andrea and Jaramillo, Eugenio and Strachan, Alejandro , eprint =. arXiv: 1503.03894 , title =

    arXiv

  136. [144]

    Voter, Arthur F. , doi =. Physical Review B - Condensed Matter and Materials Physics , number =

  137. [145]

    Springer, H. K. and Tarver, C. M. and Bastea, S. , doi =. AIP Conference Proceedings , number =

  138. [146]

    and Johnson, Belinda P

    Bassett, Will P. and Johnson, Belinda P. and Dlott, Dana D. , doi =. Applied Physics Letters , number =

  139. [147]

    and Savoie, Brett M

    Iovanac, Nicolae C. and Savoie, Brett M. , doi =. Journal of Physical Chemistry A , number =

  140. [148]

    and Ravelo, Ramon , doi =

    Levitas, Valery I. and Ravelo, Ramon , doi =. Proceedings of the National Academy of Sciences of the United States of America , keywords =

  141. [149]

    Semenov, N. N. , journal =

  142. [150]

    Journal of Applied Physics , number =

    Wei, Yaochi and Kim, Seokpum and Horie, Yasuyuki and Zhou, Min , doi =. Journal of Applied Physics , number =

  143. [151]

    Advanced Materials , keywords =

    Cai, Pingqiang and Hu, Benhui and Leow, Wan Ru and Wang, Xiaoyuan and Loh, Xian Jun and Wu, Yun Long and Chen, Xiaodong , doi =. Advanced Materials , keywords =

  144. [152]

    doi:10.1103/PhysRevB.85.184206 , file =

    Physical Review B - Condensed Matter and Materials Physics , number =. doi:10.1103/PhysRevB.85.184206 , file =

    doi

  145. [153]

    Dienes, J. K. , doi =. Mechanics of Materials , number =

  146. [154]

    and Baskes, M

    Daw, Murray S. and Baskes, M. I. , doi =. Physical Review B , number =

  147. [155]

    Patidar, Lalit and Thynell, Stefan T. , doi =. Combustion and Flame , keywords =

  148. [156]

    Propellants, Explosives, Pyrotechnics , keywords =

    Xiao, Qian and Sui, Heliang and Yu, Qian and Chen, Jie and Yin, Ying and Ju, Xin , doi =. Propellants, Explosives, Pyrotechnics , keywords =

  149. [157]

    Scientific Reports , number =

    Bastea, Sorin , doi =. Scientific Reports , number =

  150. [158]

    and Reed, Evan J

    Qi, Tingting and Bauschlicher, Charles W. and Reed, Evan J. and Lenfant, Antonin and Lawson, John W. and Desai, Tapan G. , doi =. Journal of Physical Chemistry A , number =

  151. [159]

    and Sorescu, Dan C

    Rice, Betsy M. and Sorescu, Dan C. , doi =. Journal of Physical Chemistry B , number =

  152. [160]

    Cawkwell, M. J. and Niklasson, Anders M.N. , doi =. Journal of Chemical Physics , number =

  153. [161]

    and Strachan, Alejandro , doi =

    Lin, Keng Hua and Holian, Brad Lee and Germann, Timothy C. and Strachan, Alejandro , doi =. Journal of Chemical Physics , number =

  154. [162]

    arXiv , keywords =

    Raissi, Maziar and Perdikaris, Paris and Karniadakis, George Em , eprint =. arXiv , keywords =

  155. [163]

    and Burke, Kieron and Ernzerhof, Matthias , doi =

    Perdew, John P. and Burke, Kieron and Ernzerhof, Matthias , doi =. Physical Review Letters , number =

  156. [164]

    Materials , keywords =

    Wang, Shuo and Guo, Zhipeng and Kang, Jinwu and Zou, Meishuai and Li, Xiaodong and Zhang, Ang and Du, Wenjia and Zhang, Wei and Lee, Tung Lik and Xiong, Shoumei and Mi, Jiawei , doi =. Materials , keywords =

  157. [165]

    and Mathew, Nithin and Sewell, Tommy , file =

    Zhao, Puhan and Kroonblawd, Matthew P. and Mathew, Nithin and Sewell, Tommy , file =. Journal of Physical Chemistry C , pages =

  158. [166]

    Rai, N. K. and Koundinyan, S. P. and Sen, O. and Schweigert, I. V. and Henson, B. F. and Udaykumar, H. S. , doi =. Combustion and Flame , keywords =

  159. [167]

    and Achenbach, Frank and Weis, Johann and Br

    Lupton, Elizabeth M. and Achenbach, Frank and Weis, Johann and Br. Journal of Physical Chemistry B , number =. doi:10.1021/jp0607059 , file =

    doi

  160. [168]

    Michael and Martin, Shawn and Pollock, Sara N

    Brown, W. Michael and Martin, Shawn and Pollock, Sara N. and Coutsias, Evangelos A. and Watson, Jean Paul , doi =. Journal of Chemical Physics , number =

  161. [169]

    Schweigert, Igor V. , doi =. Journal of Physical Chemistry A , number =

  162. [170]

    Nature Chemistry , number =

    Huo, Shuaidong and Zhao, Pengkun and Shi, Zhiyuan and Zou, Miancheng and Yang, Xintong and Warszawik, Eliza and Loznik, Mark and G. Nature Chemistry , number =. doi:10.1038/s41557-020-00624-8 , file =

    doi

  163. [171]

    and Islam, Md Mahbubul and Strachan, Alejandro , doi =

    Sakano, Michael and Hamilton, Brenden W. and Islam, Md Mahbubul and Strachan, Alejandro , doi =. Journal of Physical Chemistry C , number =

  164. [172]

    Lian, Yanping and Lin, Stephen and Yan, Wentao and Liu, Wing Kam and Wagner, Gregory J. , doi =. Computational Mechanics , keywords =

  165. [173]

    and Pineau, N

    Bidault, X. and Pineau, N. , doi =. Journal of Chemical Physics , number =

  166. [174]

    Journal of Physical Chemistry C , number =

    Lafourcade, Paul and Denoual, Christophe and Maillet, Jean Bernard , doi =. Journal of Physical Chemistry C , number =

  167. [175]

    and Ren, Yi and Moore, Jeffrey S

    Shaw, William L. and Ren, Yi and Moore, Jeffrey S. and Dlott, Dana D. , doi =. AIP Conference Proceedings , number =

  168. [176]

    Jarzynski, C. , doi =. Physical Review Letters , number =. arXiv , arxivId =:9610209 , file =

  169. [177]

    Physical Review B , number =

    Bl. Physical Review B , number =. doi:10.1103/PhysRevB.50.17953 , file =

    doi

  170. [178]

    and Coe, Joshua D

    Dattelbaum, Dana M. and Coe, Joshua D. , doi =. Polymers , keywords =

  171. [179]

    and Zhao, Puhan and Ma, Ran and Sewell, Tommy and Sun, WaiChing , eprint =

    Vlassis, Nikolaos N. and Zhao, Puhan and Ma, Ran and Sewell, Tommy and Sun, WaiChing , eprint =. arXiv , title =

  172. [180]

    , booktitle =

    Wood, Mitchell A. , booktitle =

  173. [181]

    and Bhowmick, Mithun and Dlott, Dana D

    Nissen, Erin J. and Bhowmick, Mithun and Dlott, Dana D. , doi =. Combustion and Flame , keywords =

  174. [182]

    Journal of the Physical Society of Japan , number =

    Gong, Liangfei and Zhang, Qingming and Wang, Jie and Ju, Yuanyuan and Xue, Yijiang , doi =. Journal of the Physical Society of Japan , number =

  175. [183]

    Chinese Journal of Chemistry , keywords =

    Yang, Li and Ren, Xiaoting and Li, Tiecheng and Wang, Shiwei and Zhang, Tonglai , doi =. Chinese Journal of Chemistry , keywords =

  176. [184]

    Met Soc AIME, Nucl Met , number =

  177. [185]

    and Manaa, M

    Reed, Evan J. and Manaa, M. Riad and Fried, Laurence E. and Glaesemann, Kurt R. and Joannopoulos, J. D. , doi =. Nature Physics , number =

  178. [186]

    Chen, Wei and Tan, Aik Rui and Ferguson, Andrew L. , doi =. Journal of Chemical Physics , number =

  179. [187]

    and Austin, Ryan A

    Kroonblawd, Matthew P. and Austin, Ryan A. , doi =. Mechanics of Materials , keywords =

  180. [188]

    Yan, Wentao and Ge, Wenjun and Qian, Ya and Lin, Stephen and Zhou, Bin and Liu, Wing Kam and Lin, Feng and Wagner, Gregory J. , doi =. Acta Materialia , keywords =

  181. [189]

    and Karma, A

    Tourret, D. and Karma, A. , doi =. Acta Materialia , keywords =

  182. [190]

    and Dreuw, Andreas , doi =

    Stauch, Tim and Hoffmann, Marvin T. and Dreuw, Andreas , doi =. ChemPhysChem , keywords =

  183. [191]

    Shen, Yuan and Reed, Evan J. , doi =. Journal of Physical Chemistry C , number =

  184. [192]

    and Clarke, Samantha M

    Hinton, Jasmine K. and Clarke, Samantha M. and Steele, Brad A. and Kuo, I. Feng W. and Greenberg, Eran and Prakapenka, Vitali B. and Kunz, Martin and Kroonblawd, Matthew P. and Stavrou, Elissaios , doi =. CrystEngComm , number =

  185. [193]

    Boltzmann, Ludwig Eduard , journal =

  186. [194]

    Journal of Computational Physics , keywords =

    Raissi, Maziar and Karniadakis, George Em , doi =. Journal of Computational Physics , keywords =. arXiv , arxivId =:1708.00588 , file =

    arXiv

  187. [195]

    Hunt, Martin and Diego, San and Jolla, La and Strachan, Alejandro , eprint =

  188. [196]

    and Strachan, Alejandro , doi =

    Zhao, Shijin and Germann, Timothy C. and Strachan, Alejandro , doi =. Physical Review B - Condensed Matter and Materials Physics , number =

  189. [197]

    Chinese Journal of Chemistry , keywords =

    Ma, Hai Xia and Song, Ji Rong and Zhao, Feng Qi and Gao, Hong Xu and Hu, Rong Zu , doi =. Chinese Journal of Chemistry , keywords =

  190. [198]

    Journal of Chemical Physics , number =

    Boyd, Sylke and Gravelle, Matthew and Politzer, Peter , doi =. Journal of Chemical Physics , number =

  191. [199]

    Advances in Neural Information Processing Systems , number =

    Medini, Tharun and Huang, Qixuan and Wang, Yiqiu and Mohan, Vijai and Shrivastava, Anshumali , eprint =. Advances in Neural Information Processing Systems , number =

  192. [200]

    and Hamed, Ahmed and Drake, Jonathan D

    Duarte, Camilo A. and Hamed, Ahmed and Drake, Jonathan D. and Sorensen, Christian J. and Son, Steven F. and Chen, Weynong W. and Koslowski, Marisol , doi =. Propellants, Explosives, Pyrotechnics , keywords =

  193. [201]

    Wood, M. A. and Kittell, D. E. and Yarrington, C. D. and Thompson, A. P. , doi =. Physical Review B , keywords =. arXiv , arxivId =:1711.02769 , file =

    arXiv

  194. [202]

    Mader, Charles L. , doi =. Physics of Fluids , number =

  195. [203]

    and Raabe, Dierk and Ritchie, Robert O

    George, Easo P. and Raabe, Dierk and Ritchie, Robert O. , doi =. Nature Reviews Materials , number =

  196. [204]

    and Halasa, Adel and Mays, Jimmy , doi =

    Wang, Shi Qing and Ravindranath, Sham and Boukany, Pouyan and Olechnowicz, Michael and Quirk, Roderic P. and Halasa, Adel and Mays, Jimmy , doi =. Physical Review Letters , number =

  197. [205]

    and Topsakal, Mehmet and Okuniewski, Maria A

    Wen, Dongsheng and Chang, Chia-Hsiu and Matsunaga, Sae and Park, Gyuchul and Ecker, Lynne and Gill, Simerjeet K. and Topsakal, Mehmet and Okuniewski, Maria A. and Antonov, Stoichko and Johnson, David R. and Titus, Michael S. , doi =. Materialia , keywords =

  198. [206]

    and Sewell, Thomas D

    Kroonblawd, Matthew P. and Sewell, Thomas D. , doi =. Journal of Chemical Physics , number =

  199. [207]

    and Rashkeev, Sergey N

    Kuklja, Maija M. and Rashkeev, Sergey N. , doi =. Applied Physics Letters , number =

  200. [208]

    Journal of the Mechanics and Physics of Solids , keywords =

    Bourne, Neil and Millett, Jeremy and Rosenberg, Zvi and Murray, Natalie , doi =. Journal of the Mechanics and Physics of Solids , keywords =

  201. [209]

    and Moore, Jeffrey S

    Kim, Tae Ann and Robb, Maxwell J. and Moore, Jeffrey S. and White, Scott R. and Sottos, Nancy R. , doi =. Macromolecules , number =

  202. [210]

    and Mattsson, Ann E

    Shan, Tzu Ray and Wixom, Ryan R. and Mattsson, Ann E. and Thompson, Aidan P. , doi =. Journal of Physical Chemistry B , number =

  203. [211]

    and Zhang, Shuai and Valleti, Mani and Pyles, Harley and Baker, David and Yoreo, James J

    Kalinin, Sergei V. and Zhang, Shuai and Valleti, Mani and Pyles, Harley and Baker, David and Yoreo, James J. De and Ziatdinov, Maxim , eprint =. arXiv , title =

  204. [212]

    Fried, L E , file =. Proc. 16th International Detonation Symposium , pages =

  205. [213]

    Nature Chemistry , number =

    Fri. Nature Chemistry , number =. doi:10.1038/nchem.1505 , file =

    doi

  206. [214]

    Physical Review Letters , keywords =

    Holian, Brad Lee and Grady, Dennis E , file =. Physical Review Letters , keywords =

  207. [215]

    and Suslick, Kenneth S

    Zhou, Xuan and Miao, Yu Run and Shaw, William L. and Suslick, Kenneth S. and Dlott, Dana D. , doi =. Journal of the American Chemical Society , number =

  208. [216]

    and White, Scott R

    Sung, Jaeuk and Robb, Maxwell J. and White, Scott R. and Moore, Jeffrey S. and Sottos, Nancy R. , doi =. Journal of the American Chemical Society , number =

  209. [217]

    and Chidester, Steven K

    Tarver, Craig M. and Chidester, Steven K. and Nichols, Albert L. , doi =. Journal of Physical Chemistry , number =

  210. [218]

    and Lookman, Turab , doi =

    Zong, Hongxiang and Pilania, Ghanshyam and Ding, Xiangdong and Ackland, Graeme J. and Lookman, Turab , doi =. npj Computational Materials , number =

  211. [219]

    and Marinero, Ernesto E

    Verduzco, Juan C. and Marinero, Ernesto E. and Strachan, Alejandro , doi =. Integrating Materials and Manufacturing Innovation , keywords =

  212. [220]

    and Kroonblawd, Matthew P

    Hamilton, Brenden W. and Kroonblawd, Matthew P. and Islam, Md Mahbubul and Strachan, Alejandro , doi =. Journal of Physical Chemistry C , number =

  213. [221]

    Nature Reviews Immunology , number =

    Mitragotri, Samir , doi =. Nature Reviews Immunology , number =

  214. [222]

    Crystal Growth and Design , pages =

    Shim, Hong-min and Koo, Kee-kahb , doi =. Crystal Growth and Design , pages =

  215. [223]

    Nature Nanotechnology , number =

    Han, Gao Feng and Li, Feng and Chen, Zhi Wen and Coppex, Claude and Kim, Seok Jin and Noh, Hyuk Jun and Fu, Zhengping and Lu, Yalin and Singh, Chandra Veer and Siahrostami, Samira and Jiang, Qing and Baek, Jong Beom , doi =. Nature Nanotechnology , number =

  216. [224]

    Thevamaran, Ramathasan and Lawal, Olawale and Yazdi, Sadegh and Jeon, Seog Jin and Lee, Jae Hwang and Thomas, Edwin L. , doi =. Science , number =

  217. [225]

    Society , pages =

    Zhang, Luzheng and Zybin, Sergey V and Duin, Adri C T Van and Dasgupta, Siddharth and Iii, William A Goddard and Kober, Edward M , file =. Society , pages =

  218. [226]

    Journal of Physical Chemistry A , number =

    Smal. Journal of Physical Chemistry A , number =. doi:10.1021/jp504959z , file =

    doi

  219. [227]

    Andersen, Hans C. , doi =. Journal of Computational Physics , number =

  220. [228]

    Willey, Trevor M. and. Propellants, Explosives, Pyrotechnics , keywords =. doi:10.1002/prep.200600063 , file =

    doi

  221. [229]

    Scientific Reports , number =

    Kaiho, Kunio and Oshima, Naga , doi =. Scientific Reports , number =

  222. [230]

    and Watson, Thomas and Lotrich, Victor F

    Molt, Robert W. and Watson, Thomas and Lotrich, Victor F. and Bartlett, Rodney J. , doi =. Journal of Physical Chemistry A , number =

  223. [231]

    LA-UR-98-3059; CONF-980803-) , file =

    Eleventh International Detonation Symposium (No. LA-UR-98-3059; CONF-980803-) , file =

  224. [232]

    and Hamilton, Brenden W

    Kroonblawd, Matthew P. and Hamilton, Brenden W. and Strachan, Alejandro , doi =. The Journal of Physical Chemistry C , pages =

  225. [233]

    and Narayanan, Badri and Loeffler, Troy D

    Chan, Henry and Cherukara, Mathew J. and Narayanan, Badri and Loeffler, Troy D. and Benmore, Chris and Gray, Stephen K. and Sankaranarayanan, Subramanian K.R.S. , doi =. Nature Communications , number =

  226. [234]

    R.Sanal and Lukin, Alexander N

    Chandrasekaran, Nichith and Oommen, Charlie and Kumar, V. R.Sanal and Lukin, Alexander N. and Abrukov, Victor S. and Anufrieva, Darya A. , doi =. Propellants, Explosives, Pyrotechnics , keywords =

  227. [235]

    and Mason, B

    Manukyan, Khachatur V. and Mason, B. Aaron and Groven, Lori J. and Lin, Ya Cheng and Cherukara, Mathew and Son, Steven F. and Strachan, Alejandro and Mukasyan, Alexander S. , doi =. Journal of Physical Chemistry C , number =

  228. [236]

    Powell, M. S. and Sakano, M. N. and Cawkwell, M. J. and Bowlan, P. R. and Brown, K. E. and Bolme, C. A. and Moore, D. S. and Son, S. F. and Strachan, A. and McGrane, S. D. , doi =. Journal of Physical Chemistry A , number =

  229. [237]

    and Kooi, Steven E

    Veysset, David and Hsieh, Alex J. and Kooi, Steven E. and Nelson, Keith A. , doi =. Polymer , keywords =

  230. [238]

    Physical Review Letters , number =

    Barducci, Alessandro and Bussi, Giovanni and Parrinello, Michele , doi =. Physical Review Letters , number =. arXiv , arxivId =:0803.3861 , file =

    arXiv

  231. [239]

    Rai, N. K. and Udaykumar, H. S. , doi =. Physics of Fluids , number =

  232. [240]

    Beyer, Martin K. , doi =. Journal of Chemical Physics , number =

  233. [241]

    Marco and Soper, Paul D

    Saitta, A. Marco and Soper, Paul D. and Wasserman, E and Klein, Michael L. , file =. Nature , number =

  234. [242]

    and Schuh, Christopher A

    Hassani-Gangaraj, Mostafa and Veysset, David and Nelson, Keith A. and Schuh, Christopher A. , doi =. Scripta Materialia , keywords =

  235. [243]

    Journal of Chemical Physics , number =

    Yang, Shuyang and Bier, Imanuel and Wen, Wen and Zhan, Jiawei and Moayedpour, Saeed and Marom, Noa , doi =. Journal of Chemical Physics , number =

  236. [244]

    and McClure, Zachary D

    Saltonstall, Christopher B. and McClure, Zachary D. and Abere, Michael J. and Guzman, David and Reeve, Samuel Temple and Strachan, Alejandro and Kotula, Paul G. and Adams, David P. and Beechem, Thomas E. , doi =. Physical Review B , keywords =

  237. [245]

    and Holian, B

    Ravelo, R. and Holian, B. L. and Germann, T. C. and Lomdahl, P. S. , doi =. Physical Review B - Condensed Matter and Materials Physics , number =

  238. [246]

    and Steele, Brad A

    Hamilton, Brenden W. and Steele, Brad A. and Sakano, Michael N. and Kroonblawd, Matthew P. and Kuo, I. Feng W. and Strachan, Alejandro , doi =. Journal of Physical Chemistry A , number =

  239. [247]

    Alder, B. J. and Wainwright, T. E. , doi =. The Journal of Chemical Physics , number =

  240. [248]

    Vashisth, Aniruddh and Ashraf, Chowdhury and Zhang, Weiwei and Bakis, Charles E. and. Journal of Physical Chemistry A , number =. doi:10.1021/acs.jpca.8b03826 , file =

    doi

  241. [249]

    Xu, Zhaozhuo and Desai, Aditya and Gupta, Menal and Chandran, Anu and Vial-Aussavy, Antoine and Shrivastava, Anshumali , eprint =

  242. [250]

    Journal of Applied Physics , number =

    Grilli, Nicol. Journal of Applied Physics , number =. doi:10.1063/1.5109761 , file =

    doi

  243. [251]

    and Stavrou, Elissaios and Crowhurst, Jonathan C

    Steele, Brad A. and Stavrou, Elissaios and Crowhurst, Jonathan C. and Zaug, Joseph M. and Prakapenka, Vitali B. and Oleynik, Ivan I. , doi =. Chemistry of Materials , number =. arXiv , arxivId =:1612.01918 , file =

    arXiv

  244. [252]

    and Jones, Kevontrez K

    Gan, Zhengtao and Lian, Yanping and Lin, Stephen E. and Jones, Kevontrez K. and Liu, Wing Kam and Wagner, Gregory J. , doi =. Integrating Materials and Manufacturing Innovation , keywords =

  245. [253]

    Journal of Physical Chemistry , number =

    Rapp. Journal of Physical Chemistry , number =. doi:10.1021/j100161a070 , file =

    doi

  246. [254]

    and Strachan, Alejandro , doi =

    Zhao, Shijin and Germann, Timothy C. and Strachan, Alejandro , doi =. Journal of Chemical Physics , number =

  247. [255]

    and Block, Steven M

    Shaevitz, Joshua W. and Block, Steven M. and Schnitzer, Mark J. , doi =. Biophysical Journal , number =

  248. [256]

    and Hourahine, B

    Aradi, B. and Hourahine, B. and Frauenheim, Th , doi =. Journal of Physical Chemistry A , number =

  249. [257]

    Computational Mechanics , keywords =

    Wei, Yaochi and Ranjan, Reetesh and Roy, Ushasi and Shin, Ju Hwan and Menon, Suresh and Zhou, Min , doi =. Computational Mechanics , keywords =

  250. [258]

    and Davis, Chelsea S

    Deneke, Naomi and Rencheck, Mitchell L. and Davis, Chelsea S. , doi =. Soft Matter , number =

  251. [259]

    and Strachan, Alejandro , doi =

    Jaramillo, Eugenio and Sewell, Thomas D. and Strachan, Alejandro , doi =. Physical Review B , number =

  252. [260]

    and Fried, Laurence E

    Wu, Christine J. and Fried, Laurence E. , doi =. Journal of Physical Chemistry A , number =

  253. [261]

    Nature Chemistry , number =

    Dopieralski, Przemyslaw and Ribas-Arino, Jordi and Anjukandi, Padmesh and Krupicka, Martin and Kiss, Janos and Marx, Dominik , doi =. Nature Chemistry , number =

  254. [262]

    and Nielsen, Michael H

    Stavrou, Elissaios and Bagge-Hansen, Michael and Hammons, Joshua A. and Nielsen, Michael H. and Steele, Bradley A. and Xiao, Penghao and Kroonblawd, Matthew P. and Nelms, Matthew D. and Shaw, William L. and Bassett, Will and Bastea, Sorin and Lauderbach, Lisa M. and Hodgin, Ra...

    2007 arXiv

  255. [263]

    and Lawrence, Joseph R

    Cummock, Nicholas R. and Lawrence, Joseph R. and Blum-Sorensen, Christian J. and Vuppuluri, Vasant S. and Son, Steven F. , doi =. Journal of Energetic Materials , keywords =

  256. [264]

    Journal of Physical Chemistry A , number =

    Chenoweth, Kimberly and. Journal of Physical Chemistry A , number =. doi:10.1021/jp709896w , file =

    doi

  257. [265]

    and Sun, Huai and Goddard, William A

    Liu, Lianchi and Liu, Yi and Zybin, Sergey V. and Sun, Huai and Goddard, William A. , doi =. Journal of Physical Chemistry A , number =

  258. [266]

    and Fried, Laurence E

    Lindsey, Rebecca K. and Fried, Laurence E. and Goldman, Nir , doi =. Journal of Chemical Theory and Computation , number =

  259. [267]

    Journal of Chemical Theory and Computation , number =

    Hern. Journal of Chemical Theory and Computation , number =. doi:10.1021/ct500678z , file =

    doi

  260. [268]

    Riad and Fried, Laurence E

    Manaa, M. Riad and Fried, Laurence E. and Melius, Carl F. and Elstner, Marcus and Frauenheim, Th , doi =. Journal of Physical Chemistry A , number =

  261. [269]

    Journal of computational chemistry , pages =

    Grimme, Stefan , doi =. Journal of computational chemistry , pages =

  262. [270]

    Physical Review Letters , keywords =

    Iten, Raban and Metger, Tony and Wilming, Henrik and. Physical Review Letters , keywords =. doi:10.1103/PhysRevLett.124.010508 , eprint =

    doi

  263. [271]

    and Connors, Thomas J

    Weisberg, Stuart P. and Connors, Thomas J. and Zhu, Yun and Baldwin, Matthew R. and Lin, Wen Hsuan and Wontakal, Sandeep and Szabo, Peter A. and Wells, Steven B. and Dogra, Pranay and Gray, Joshua and Idzikowski, Emma and Stelitano, Debora and Bovier, Francesca T. and Davis-Po...

  264. [272]

    B.Nasir and Varma, Rajender S

    Baig, R. B.Nasir and Varma, Rajender S. , doi =. Chemical Society Reviews , number =

  265. [273]

    and Clarke, Samantha M

    Steele, Brad A. and Clarke, Samantha M. and Kroonblawd, Matthew P. and Kuo, I. Feng W. and Pagoria, Philip F. and Tkachev, Sergey N. and Smith, Jesse S. and Bastea, Sorin and Fried, Laurence E. and Zaug, Joseph M. and Stavrou, Elissaios and Tschauner, Oliver , doi =. Applied P...

  266. [274]

    Yeager, J. D. and Dattelbaum, A. M. and Orler, E. B. and Bahr, D. F. and Dattelbaum, D. M. , doi =. Journal of Colloid and Interface Science , keywords =

  267. [275]

    Chemical Reviews , number =

    Fern. Chemical Reviews , number =. doi:10.1021/cr050205w , file =

    doi

  268. [276]

    and Sewell, Thomas D

    Bedrov, Dmitry and Borodin, Oleg and Smith, Grant D. and Sewell, Thomas D. and Dattelbaum, Dana M. and Stevens, Lewis L. , doi =. Journal of Chemical Physics , number =

  269. [277]

    and Picu, R

    Mathew, N. and Picu, R. C. , doi =. Journal of Chemical Physics , number =

  270. [278]

    Rimoli, J. J. and G. Physical Review B - Condensed Matter and Materials Physics , number =. doi:10.1103/PhysRevB.81.014112 , file =

    doi

  271. [279]

    Journal of Chemical Theory and Computation , number =

    Brieuc, Fabien and Bronstein, Yael and Dammak, Hichem and Depondt, Philippe and Finocchi, Fabio and Hayoun, Marc , doi =. Journal of Chemical Theory and Computation , number =

  272. [280]

    and Rodriguez, Alejandro W

    Reed, Evan J. and Rodriguez, Alejandro W. and Manaa, M. Riad and Fried, Laurence E. and Tarver, Craig M. , doi =. Physical Review Letters , number =

  273. [281]

    ACS Central Science , number =

    Wang, Jiang and Olsson, Simon and Wehmeyer, Christoph and P. ACS Central Science , number =. doi:10.1021/acscentsci.8b00913 , eprint =

    doi

  274. [282]

    and Lin, Stephen and Faierson, Eric J

    Wolff, Sarah J. and Lin, Stephen and Faierson, Eric J. and Liu, Wing Kam and Wagner, Gregory J. and Cao, Jian , doi =. Acta Materialia , keywords =

  275. [283]

    Journal of Applied Mechanics , keywords =

    Wei, Yaochi and Miller, Christopher and Olsen, Daniel and Zhou, Min , doi =. Journal of Applied Mechanics , keywords =

  276. [284]

    and Thomas, Edwin L

    Veysset, David and Lee, Jae Hwang and Hassani, Mostafa and Kooi, Steven E. and Thomas, Edwin L. and Nelson, Keith A. , doi =. Applied Physics Reviews , number =. arXiv , arxivId =:2012.08402 , file =

    2012 arXiv

  277. [285]

    and Lindsey, Rebecca K

    Kroonblawd, Matthew P. and Lindsey, Rebecca K. and Goldman, Nir , doi =. Chemical Science , number =

  278. [286]

    and Gao, M

    Isralewitz, B. and Gao, M. and Schulten, K. , file =. Current Opinion in Structural Biology , pages =

  279. [287]

    doi:10.1080/07370650801922195 , file =

    Journal of Energetic Materials , keywords =. doi:10.1080/07370650801922195 , file =

    doi

  280. [288]

    and Kooi, Steven and Maznev, Alexei A

    Veysset, David and Hsieh, Alex J. and Kooi, Steven and Maznev, Alexei A. and Masser, Kevin A. and Nelson, Keith A. , doi =. Scientific Reports , number =

  281. [289]

    and Strachan, Alejandro , doi =

    Li, Chunyu and Sakano, Michael N. and Strachan, Alejandro , doi =. Journal of Applied Physics , number =

  282. [290]

    Science , number =

    Bell, George I , file =. Science , number =

  283. [291]

    and Steele, Brad A

    Clarke, Samantha M. and Steele, Brad A. and Kroonblawd, Matthew P. and Zhang, Dongzhou and Kuo, I. Feng W. and Stavrou, Elissaios , doi =. Journal of Physical Chemistry B , number =

  284. [292]

    and Shaw, M

    Menikoff, R. and Shaw, M. S. , doi =. EPJ Web of Conferences , title =

  285. [293]

    Einstein, Albert , journal =

  286. [294]

    and Koutsourelakis, P

    Kaltenbach, S. and Koutsourelakis, P. , doi =. arXiv , keywords =. arXiv , arxivId =:2102.04269 , file =

    arXiv

  287. [295]

    and Sewell, Thomas D

    Kroonblawd, Matthew P. and Sewell, Thomas D. , doi =. Propellants, Explosives, Pyrotechnics , keywords =

  288. [296]

    doi:10.1021/jp004368u , file =

    Journal of Physical Chemistry A , number =. doi:10.1021/jp004368u , file =

    doi

  289. [297]

    Campbell, A. W. and Travis, J R , file =. Los Alamos National Laboratory , number =

  290. [298]

    and Keblinski, P

    Wolf, D. and Keblinski, P. and Phillpot, S. R. and Eggebrecht, J. , doi =. Journal of Chemical Physics , number =

  291. [299]

    Journal of Physical Chemistry C , number =

    Xue, Xianggui and Wen, Yushi and Zhang, Chaoyang , doi =. Journal of Physical Chemistry C , number =

  292. [300]

    and Stukowski, Alexander and Oppelstrup, Tomas and Bulatov, Vasily V

    Zepeda-Ruiz, Luis A. and Stukowski, Alexander and Oppelstrup, Tomas and Bulatov, Vasily V. , doi =. Nature , number =

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