Fast automatically differentiable matrix functions and applications in molecular simulations | Paper Citation Record

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This paper cites Abramowitz and I.

Fast automatically differentiable matrix functions and applications in molecular simulations Abramowitz and I

Reference 1

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This paper cites Anomalous entropy-driven kinetics of dislocation nucleation.

Fast automatically differentiable matrix functions and applications in molecular simulations Anomalous entropy-driven kinetics of dislocation nucleation

Reference 2

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This paper cites Variational transition state theory: theoretical framework and recent developments.

Fast automatically differentiable matrix functions and applications in molecular simulations Variational transition state theory: theoretical framework and recent developments

Reference 3

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This paper cites Equivariant Matrix Function Neural Networks.

Fast automatically differentiable matrix functions and applications in molecular simulations Equivariant Matrix Function Neural Networks

Reference 4

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This paper cites Automatic differentiation in machine learning: a survey.

Fast automatically differentiable matrix functions and applications in molecular simulations Automatic differentiation in machine learning: a survey

Reference 5

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This paper cites Matrix functions in network analysis.

Fast automatically differentiable matrix functions and applications in molecular simulations Matrix functions in network analysis

Reference 6

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This paper cites Forward- or reverse-mode automatic differentiation: What’s the difference?.

Fast automatically differentiable matrix functions and applications in molecular simulations Forward- or reverse-mode automatic differentiation: What’s the difference?

Reference 7

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This paper cites Thermodynamic Limit of the Transition Rate of a Crystalline Defect.

Fast automatically differentiable matrix functions and applications in molecular simulations Thermodynamic Limit of the Transition Rate of a Crystalline Defect

Reference 8

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This paper cites Reactivity of Single-Atom Alloy Nanoparticles: Modeling the Dehydrogenation of Propane.

Fast automatically differentiable matrix functions and applications in molecular simulations Reactivity of Single-Atom Alloy Nanoparticles: Modeling the Dehydrogenation of Propane

Reference 9

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Fast automatically differentiable matrix functions and applications in molecular simulations Unresolved cited work

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This paper cites Caillard and J.-L.

Fast automatically differentiable matrix functions and applications in molecular simulations Caillard and J.-L

Reference 11

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This paper cites Constrained reaction coordinate dynamics for the simulation of rare events.

Fast automatically differentiable matrix functions and applications in molecular simulations Constrained reaction coordinate dynamics for the simulation of rare events

Reference 12

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This paper cites QM/MM Methods for Crystalline Defects. Part 1: Locality of the Tight Binding Model.

Fast automatically differentiable matrix functions and applications in molecular simulations QM/MM Methods for Crystalline Defects. Part 1: Locality of the Tight Binding Model

Reference 13

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This paper cites Locating landmarks on high-dimensional free energy surfaces.

Fast automatically differentiable matrix functions and applications in molecular simulations Locating landmarks on high-dimensional free energy surfaces

Reference 14

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This paper cites Activation energies for vacancy migration, clustering and annealing in silicon.

Fast automatically differentiable matrix functions and applications in molecular simulations Activation energies for vacancy migration, clustering and annealing in silicon

Reference 15

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This paper cites A survey of direct methods for sparse linear systems.

Fast automatically differentiable matrix functions and applications in molecular simulations A survey of direct methods for sparse linear systems

Reference 16

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Fast automatically differentiable matrix functions and applications in molecular simulations Unresolved cited work

Reference 17

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This paper cites Free energy calculations: an efficient adaptive biasing potential method.

Fast automatically differentiable matrix functions and applications in molecular simulations Free energy calculations: an efficient adaptive biasing potential method

Reference 18

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This paper cites https : / / dlmf.

Fast automatically differentiable matrix functions and applications in molecular simulations https : / / dlmf

Reference 19

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Fast automatically differentiable matrix functions and applications in molecular simulations Unresolved cited work

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This paper cites Stability analysis of linear time-invariant dynamic systems using the matrix sign function and the Adomian decomposition method.

Fast automatically differentiable matrix functions and applications in molecular simulations Stability analysis of linear time-invariant dynamic systems using the matrix sign function and the Adomian decomposition method

Reference 21

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This paper cites Vibrational thermodynamics of materials.

Fast automatically differentiable matrix functions and applications in molecular simulations Vibrational thermodynamics of materials

Reference 22

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Fast automatically differentiable matrix functions and applications in molecular simulations What Color Is Your Jacobian? Graph Coloring for Computing Derivatives

Reference 23

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This paper cites Breakdown of the Arrhenius Law in Describing Vacancy Formation Energies: The Importance of Local Anharmonicity Revealed by Ab initio Thermodynamics.

Fast automatically differentiable matrix functions and applications in molecular simulations Breakdown of the Arrhenius Law in Describing Vacancy Formation Energies: The Importance of Local Anharmonicity Revealed by Ab initio Thermodynamics

Reference 24

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Fast automatically differentiable matrix functions and applications in molecular simulations Unresolved cited work

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This paper cites Ab initio up to the melting point: Anharmonicity and vacancies in aluminum.

Fast automatically differentiable matrix functions and applications in molecular simulations Ab initio up to the melting point: Anharmonicity and vacancies in aluminum

Reference 26

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This paper cites On the numerical stability of algorithmic differentiation.

Fast automatically differentiable matrix functions and applications in molecular simulations On the numerical stability of algorithmic differentiation

Reference 27

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This paper cites Griewank and A.

Fast automatically differentiable matrix functions and applications in molecular simulations Griewank and A

Reference 28

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This paper cites On Automatic Differentiation.

Fast automatically differentiable matrix functions and applications in molecular simulations On Automatic Differentiation

Reference 29

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This paper cites Dual-number transformation and its applications to robotics.

Fast automatically differentiable matrix functions and applications in molecular simulations Dual-number transformation and its applications to robotics

Reference 30

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This paper cites Computing Aα, log(A), and Related Matrix Functions by Contour Integrals.

Fast automatically differentiable matrix functions and applications in molecular simulations Computing Aα, log(A), and Related Matrix Functions by Contour Integrals

Reference 31

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This paper cites Theory of the backpropagation neural network.

Fast automatically differentiable matrix functions and applications in molecular simulations Theory of the backpropagation neural network

Reference 32

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This paper cites Improved tangent estimate in the nudged elastic band method for finding minimum energy paths and saddle points.

Fast automatically differentiable matrix functions and applications in molecular simulations Improved tangent estimate in the nudged elastic band method for finding minimum energy paths and saddle points

Reference 33

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Fast automatically differentiable matrix functions and applications in molecular simulations Unresolved cited work

Reference 34

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This paper cites A Hitchhiker’s Guide to Automatic Differentiation.

Fast automatically differentiable matrix functions and applications in molecular simulations A Hitchhiker’s Guide to Automatic Differentiation

Reference 35

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This paper cites Don't Unroll Adjoint: Differentiating SSA-Form Programs.

Fast automatically differentiable matrix functions and applications in molecular simulations Don't Unroll Adjoint: Differentiating SSA-Form Programs

Reference 36

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Fast automatically differentiable matrix functions and applications in molecular simulations PSelInv—A Distributed Memory Parallel Algorithm for Selected Inversion: The Symmetric Case

Reference 37

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Fast automatically differentiable matrix functions and applications in molecular simulations Unresolved cited work

Reference 38

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This paper cites Escaping free-energy minima.

Fast automatically differentiable matrix functions and applications in molecular simulations Escaping free-energy minima

Reference 39

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This paper cites Machine learning surrogate models for strain-dependent vibrational properties and migration rates of point defects.

Fast automatically differentiable matrix functions and applications in molecular simulations Machine learning surrogate models for strain-dependent vibrational properties and migration rates of point defects

Reference 40

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Fast automatically differentiable matrix functions and applications in molecular simulations Lewars.Computational Chemistry: Introduction to the Theory and Applications of Molecular and Quantum Mechanics

Reference 41

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This paper cites Atomistic analysis of the vacancy diffusion mechanism.

Fast automatically differentiable matrix functions and applications in molecular simulations Atomistic analysis of the vacancy diffusion mechanism

Reference 42

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Fast automatically differentiable matrix functions and applications in molecular simulations Unresolved cited work

Reference 43

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This paper cites EmpiricalPotentials.jl.

Fast automatically differentiable matrix functions and applications in molecular simulations EmpiricalPotentials.jl

Reference 44

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Fast automatically differentiable matrix functions and applications in molecular simulations SaddleSearch.jl

Reference 45

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This paper cites Entropic Stabilization of Nanoscale V oids in Materials under Tension.

Fast automatically differentiable matrix functions and applications in molecular simulations Entropic Stabilization of Nanoscale V oids in Materials under Tension

Reference 46

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This paper cites Automatic Differentiation, C++ Templates, and Photogrammetry.

Fast automatically differentiable matrix functions and applications in molecular simulations Automatic Differentiation, C++ Templates, and Photogrammetry

Reference 47

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Fast automatically differentiable matrix functions and applications in molecular simulations Diffusion on Demand to Control Precipitation Aging: Application to Al-Mg-Si Alloys

Reference 48

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Fast automatically differentiable matrix functions and applications in molecular simulations Correlation between self-diffusion in Si and the migration mechanisms of vacancies and self-interstitials: An atomistic study

Reference 49

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This paper cites A Discrete Dislocation Model of Creep in Single Crystals.

Fast automatically differentiable matrix functions and applications in molecular simulations A Discrete Dislocation Model of Creep in Single Crystals

Reference 50

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This paper cites Forward-Mode Automatic Differentiation in Julia.

Fast automatically differentiable matrix functions and applications in molecular simulations Forward-Mode Automatic Differentiation in Julia

Reference 51

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This paper cites Entropic effect on the rate of dislocation nucleation.

Fast automatically differentiable matrix functions and applications in molecular simulations Entropic effect on the rate of dislocation nucleation

Reference 52

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This paper cites Formation and migration energies of the vacancy in Si calculated using the HSE06 range-separated hybrid functional.

Fast automatically differentiable matrix functions and applications in molecular simulations Formation and migration energies of the vacancy in Si calculated using the HSE06 range-separated hybrid functional

Reference 53

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Observation 84680169-d6b1-4d06-b5d6-ed2b6ce346a7 · outbound

This paper cites Mapping saddles and minima on free energy surfaces using multiple climbing strings.

Fast automatically differentiable matrix functions and applications in molecular simulations Mapping saddles and minima on free energy surfaces using multiple climbing strings

Reference 55

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Observation 2f04bca8-b5e7-40b7-85c3-a46d8d9f2a49 · outbound

This paper cites Unsupervised Calculation of Free Energy Barriers in Large Crystalline Systems.

Fast automatically differentiable matrix functions and applications in molecular simulations Unsupervised Calculation of Free Energy Barriers in Large Crystalline Systems

Reference 56

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This paper cites cppduals: a nestable vectorized templated dual number library for C++11.

Fast automatically differentiable matrix functions and applications in molecular simulations cppduals: a nestable vectorized templated dual number library for C++11

Reference 57

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Fast automatically differentiable matrix functions and applications in molecular simulations Unresolved cited work

Reference 58

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This paper cites Animations of migration paths for defects in silicon crystals at 100K.

Fast automatically differentiable matrix functions and applications in molecular simulations Animations of migration paths for defects in silicon crystals at 100K

Reference 59

Resolution: verified exact; doi, observed 2026-08-11T14:00:17.289531Z

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Observation c2a9736f-0fc2-468b-b7f1-eba603198175 · outbound

This paper cites Vibrational entropy: spatial decomposition and surrogate models.

Fast automatically differentiable matrix functions and applications in molecular simulations Vibrational entropy: spatial decomposition and surrogate models

Reference 60

Resolution: verified fuzzy; raw_fallback, observed 2026-08-11T14:00:18.099092Z

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Observation 0cda4b97-bed9-4f5d-bc2c-9bb3b089bd90 · outbound

This paper cites EntropyGrad.jl.

Fast automatically differentiable matrix functions and applications in molecular simulations EntropyGrad.jl

Reference 61

Resolution: verified exact; doi, observed 2026-08-11T14:00:17.265056Z

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Observation 1b22860b-0111-4d45-bc46-72389ffa5a2b · outbound

This paper cites Surrogate models for vibrational entropy based on a spatial decomposition.

Fast automatically differentiable matrix functions and applications in molecular simulations Surrogate models for vibrational entropy based on a spatial decomposition

Reference 62

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Observation 3946995f-04fb-4d1b-bee3-308230420c1f · outbound

This paper cites Nonphysical sampling distributions in Monte Carlo free-energy estimation: Umbrella sampling.

Fast automatically differentiable matrix functions and applications in molecular simulations Nonphysical sampling distributions in Monte Carlo free-energy estimation: Umbrella sampling

Reference 63

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Observation 1c399154-5a64-4278-bd7d-c4433ba0d6cb · outbound

This paper cites Theory of Grain Boundary Migration Rates.

Fast automatically differentiable matrix functions and applications in molecular simulations Theory of Grain Boundary Migration Rates

Reference 64

Resolution: verified exact; doi, observed 2026-08-11T14:00:17.246982Z

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Observation ccbc20dc-850c-4127-9b33-7f708b08d2af · outbound

This paper cites Direct Transformation of Vacancy V oids to Stacking Fault Tetrahedra.

Fast automatically differentiable matrix functions and applications in molecular simulations Direct Transformation of Vacancy V oids to Stacking Fault Tetrahedra

Reference 65

Resolution: verified exact; doi, observed 2026-08-11T14:00:17.233479Z

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Observation b0fbef7c-b93c-46d3-b937-e8b02bdb45bf · outbound

This paper cites Origins and implications of temperature-dependent activation energy barriers for dislocation nucleation in face-centered cubic metals.

Fast automatically differentiable matrix functions and applications in molecular simulations Origins and implications of temperature-dependent activation energy barriers for dislocation nucleation in face-centered cubic metals

Reference 66

Resolution: verified exact; doi, observed 2026-08-11T14:00:17.221122Z

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Observation 2e3713ea-9a6a-4f79-87ab-477c88ba4940 · outbound

This paper cites A Simple Automatic Derivative Evaluation Program.

Fast automatically differentiable matrix functions and applications in molecular simulations A Simple Automatic Derivative Evaluation Program

Reference 67

Resolution: verified fuzzy; raw_fallback, observed 2026-08-11T14:00:18.085576Z

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Observation 3309531a-fada-4a08-93e1-624b32c2f7d8 · outbound

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Fast automatically differentiable matrix functions and applications in molecular simulations Unresolved cited work

Reference 68

Resolution: verified exact; doi, observed 2026-08-11T14:00:17.206736Z

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Observation e8317e25-45ac-4965-b7b7-94e0bb421965 · outbound

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Fast automatically differentiable matrix functions and applications in molecular simulations Unresolved cited work

Reference 69

Resolution: unresolved; raw_fallback, observed 2026-08-11T14:00:18.073184Z

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Observation 101d9a52-9648-4b0e-886c-3a71eea70ac9 · outbound

This paper cites Generalized stacking fault energies for embedded atom FCC metals.

Fast automatically differentiable matrix functions and applications in molecular simulations Generalized stacking fault energies for embedded atom FCC metals

Reference 70

Resolution: unresolved; no resolver link, observed 2026-08-11T14:00:17.148862Z

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Observation 646a8d40-5109-424c-8528-764103d11017 · outbound

This paper cites an unresolved cited work.

Fast automatically differentiable matrix functions and applications in molecular simulations Unresolved cited work

Reference 2024

Resolution: verified exact; doi, observed 2026-08-11T14:00:17.277049Z

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