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Every paper Pith has read. Search by title, abstract, or pith.
3204 papers in cond-mat.mtrl-sci · page 8
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Model adds four-phonon scattering to predict solid infrared optics
A first-principles approach for predicting infrared optical properties of solids
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Bayesian imaging reveals interface origin of solar cell degradation
Disentangling the origin of degradation in perovskite solar cells via optical imaging and Bayesian inference
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Polarization trajectory holonomies map SrTiO3 stress inhomogeneity
Holonomy Analysis of Optical-polarization Temperature Trajectories in Stress-induced Ferroelectric SrTiO$_3$
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Twisted bilayers form Z2 topological phase via emergent honeycomb lattice
A Geometric Design Principle for $\mathbb{Z}_2$ Topological Phases in Twisted Triangular-Lattice Bilayers
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Orbital angular momentum drives Peltier temperature shifts
Observation of orbital-angular-momentum-driven temperature modulation via the spin Peltier effect
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B2 phase triggers spinodal decomposition in Li-Mg anodes
Conditional spinodal decomposition in Li-Mg anodes for lithium metal batteries
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Joule heating in 20 seconds retains 50% metastable zirconia in copper
Leveraging rapid sintering to retain metastable zirconia in copper
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PBE functional causes MLIPs to select wrong HfO2 ground state
A wrong ground-state structure of HfO$_2$ predicted by machine-learning interatomic potentials based on the PBE functional
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Hybrid cycle fixes molecular reference bias in Monte Carlo adsorption
Molecular reference corrections for quantum Monte Carlo adsorption energies
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Amorphization energy sets ductility limit in metals and alloys
Intrinsic Ductility from Shear Amorphization: From Pure Metals to Multi-Principal-Element Alloys
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hBN nanopores allow higher water flow than graphene
Water Flow Through Polar and Non-Polar Nanopores: Insights from Multiscale Simulations
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High pressure extends La doping in bilayer iridates
Extending the La Solubility Limit in Sr$_3$Ir$_2$O$_7$ through High-Pressure High-Temperature Synthesis
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Cu occupies octahedral Mn sites in BiMn7O12 instead of square-planar positions
Site Preferences and "Coloring Problem" in Cu-doped BiMn$_7$O$_{12}$ Quadruple Perovskite
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Foundation model quality and hyperparameters matter more than fine-tuning method
Fine-tuning MLIP foundation models: strategies for accuracy and transferability
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Unified model decomposes PEC losses from I-V data
From Loss Diagnosis to Rational Design: A Unified Analytical Model for Photoelectrochemical Cells
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Infrared phase fitting measures conductivity from 1 to over 2000 W/m/K
Lock-In Infrared Thermography: Phase Analysis for Rapid, Wide-Range Thermal Conductivity Measurements
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Embedding lets EOM-CCSD hit 0.27 eV error on ten solid band gaps
Resolving Finite-Size Errors in EOM-CCSD Band Gaps of Solids with Interacting-Bath Dynamical Embedding Theory
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Algebraic reduction gives exact limiting velocities for symmetric edge dislocations
Computationally efficient method for determining limiting velocities of edge dislocations in anisotropic crystals
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Graded AlScN films switch ferroelectrically at 5 nm thickness
Compositional gradient engineering for enhanced ferroelectricity in ultrathin AlScN
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Grain boundaries drive early diffusion in Ni/Al multilayers
Hierarchical Interdiffusion Kinetics in Nanoscale Ni/Al Multilayers
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Crystal data manifold predicts superconductor Tc values
Charting the emergent low-dimensional manifold of quantum materials
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Kagome spin spectra show peaks at 3.4 T* and 6.3 T*
Spin correlations, low-energy scales, and anisotropy scaling in kagome frustrated magnets
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Quantum shells show Gaussian biexciton efficiency distribution
Quantifying the Distribution of Biexciton Emission Efficiencies in Colloidal Quantum Shells
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Electric field alters anomalous Hall conductivity in MnTe
Effect of polar distortions on the anomalous Hall conductivity of altermagnetic $\alpha$-MnTe
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Few plasmon modes capture dielectric response in 2D metals
Plasmonic properties and correlation energies from a compact multipole representation of the dielectric response in 2D metals
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Pressure amorphizes CrP4 into first Cr-based superconductor
Superconductivity in the pressure-amorphized topological insulator CrP$_4$
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Phase field model predicts hydrogen shift to intergranular cracks
Thermodynamically consistent phase field model for hydrogen-assisted cracking
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CeSiI lattice jumps at quantum critical pressure
Structural responses incipient to pressure-driven antiferromagnetic quantum critical point of van der Waals heavy-fermion metal CeSiI
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Y6 aggregation opens fast triplet route via charge transfer
Quantum dynamic simulation of triplet formation in an effective model of Y6 (BTP-4F)
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Strain tunes doping in nanotube quantum dots via bandstructure
Experimental straintronics in nanotube quantum dots
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Immiscible nanoparticles mix atom by atom at low temperature
Tracking atomic-scale interdiffusion in immiscible bimetallic nanoparticles via four-dimensional electron tomography
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Helium ion beams turn YBCO regions insulating
Structural Changes and Transport Properties of $\mathrm{YBa_2Cu_3O_7}$ Locally Modified by a He$^+$ Focused Ion Beam
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6.4 ps pulses enable field-free SOT switching on chip
All-electric picosecond field-free spin-orbit torque switching in magnetic trilayers
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MoS3-coated nickel foam sustains 1 A/cm² at 1.96 V for 1000 hours
Scalable Conformal MoSx Catalyst for Efficient Hydrogen Evolution at Industrial-Level Current Density in Alkaline Electrolyzers
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Melting starts centrally in Al-Cu alloy and spreads along grain boundaries
Direct nanoscale observation of melting and solute redistribution in a hypoeutectic Al-Cu alloy with $\it{in\ situ}$ STEM
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Broad viscosity spread at grain boundaries erases distinct EAGBS peak
Effects of microstructural heterogeneity on the macroscopic spectrum of elastically accommodated grain-boundary sliding
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ML screening yields 28.85% efficient lead-free solar cells
Multilayer Screening of Double and Conventional Perovskite Solar Cells Using SCAPS-1D and Machine Learning: Optimization of ETL, HTL, and Absorber for High-Efficiency Architectures
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Capillary parameter predicts when drops remove particles
When and how particles are removed by drops
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Theophylline monohydrate dehydrates via two-step surface-driven path
In Situ Dynamics of the Microscopic Crystallographic Dehydration Pathway in a Model Channel Hydrate, Theophylline
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Dislocation pile-ups set residual stress gradients in thin films
Residual stress gradient in a thin film within the dislocation pile-up theory
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Chirality and polarity set altermagnetic spin-splitting sign in manganese chloride
Coupling Chirality, Polar Order, and Altermagnetic Spin Splitting in a Hybrid Manganese Chloride
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NHC geometry decides GNR decoupling from gold
Interfacial Coupling and Sparse Intercalation of 7-Atom-Wide Armchair Graphene Nanoribbons by N-Heterocyclic Carbene Monolayers
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Boron co-doping cuts coercive field in AlScN to 3 MV/cm
Boron Co-Alloying in AlScN Wurtzite Ferroelectrics: Insights from an 850-Sample Combinatorial Study
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Database supplies spin data for 2500+ halide double perovskites
Spin-Polarized Electronic Structure and Chemical Bonding Data for 2,500+ Halide Double Perovskites
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Sonication in water boosts Janus TMD HER activity near platinum levels
Sonochemically Boosted Hydrogen Evolution Activity of Janus TMD Monolayers
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Uncertainty estimates transfer between magnetic property models
Modelling magnetic material properties with uncertainty-aware neural networks
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Electric field switches Chern number in altermagnetic insulator
Ferroelectric Altermagnetic Chern Insulator in magnetic field: electrical control of the Chern number
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Ruptures cross forbidden super-Rayleigh range continuously
Breakdown of the classical rupture theory and earthquake propagation in the "forbidden" super-Rayleigh range
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Axial-load model predicts bifurcations in Kresling chains
Nonlinear Mechanics and Predictable Bifurcation of Multi-Cell Kresling Origami Chains
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Au25 cluster gold bonds compress like bulk gold
Bulk-like Compressibility of the Au-Au Metallic Bond in the Atomically Precise $\mathrm{Au}_{25}$ Cluster