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chemical-physics
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chemical-physics
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· documents ABOUT chemical-physics across the archive
517
Documents about chemical-physics
Documents about chemical-physics
A Machine-Learning Framework for Efficient Ring-Polymer Instanton Rate Calculations
#614922
arXiv (All)
Intrinsic Wannier Functions for Hamiltonian downfolding
#616214
arXiv (OAI Expanded)
Intrinsic Wannier Functions for Hamiltonian downfolding
#616714
arXiv (All)
Size Dependent Ternary Halide Solid Solutions in Perovskite Nanocrystals
#617432
arXiv (OAI Expanded)
Size Dependent Ternary Halide Solid Solutions in Perovskite Nanocrystals
#617932
arXiv (All)
Site-Specific Vibrational Dynamics to Probe Local and Global Protein Motions
#797017
arXiv (OAI Expanded)
An anharmonic liquid-entropy functional from the Mori-Zwanzig memory kernel
#797607
arXiv (OAI Expanded)
Site-Specific Vibrational Dynamics to Probe Local and Global Protein Motions
#798430
arXiv (All)
An anharmonic liquid-entropy functional from the Mori-Zwanzig memory kernel
#799022
arXiv (All)
LibppRPA: An Open-Source Library for Particle-Particle Random Phase Approximation
#821752
arXiv (All)
Chemical pressure and vacancies in crystals under nonhydrostatic stress
#920086
arXiv (OAI Expanded)
Neural Network Based Molecular Structure Retrieval from Coulomb Explosion Imaging Data
#920277
arXiv (OAI Expanded)
Chemical pressure and vacancies in crystals under nonhydrostatic stress
#924317
arXiv (All)
Neural Network Based Molecular Structure Retrieval from Coulomb Explosion Imaging Data
#924508
arXiv (All)
Overlimiting Ion Transport and Reaction Limitations in Charged Porous Media
#925509
arXiv (All)
Exposing the quantum geometry of spin-orbit-coupled Fermi superfluids
#955279
Koc University Digital Collections
Efficient Deterministic-Stochastic Representation of the Coulomb Operator in Real Space
#997097
arXiv (All)
Colloidal shadows reveal hidden solute transport
#1000097
arXiv (All)
Enabling Polaritonic Electronic Structure Theory for Psi4: The psi4-cbo package
#1011436
arXiv (All)
Reaction dynamics in non-Markovian systems with non-monotonically decaying memory
#1012397
arXiv (All)
Dynamic Response Functions for Cavity Quantum Electrodynamics Hartree-Fock Theory
#1013599
arXiv (All)
Elucidating the mechanism of helium evaporation from liquid water
#1014468
arXiv (All)
Unified light-matter metric of molecular and nanophotonic chirality
#1034204
arXiv (All)
RECOB: Reliable Benchmarking of Experimental Optimization in Chemistry and Materials Science
#1034865
arXiv (All)
cboamd: A Machine Learning Molecular Dynamics Framework for Vibrational Strong Coupling
#1036408
arXiv (All)
Water-polyamide chemical interplay in desalination membranes explored by ambient pressure X-ray photoelectron spectroscopy
#1015680
eScholarship
Rotational excitation of molecules in the regime of strong ro-vibrational coupling: Comparison between an optical centrifuge and a transform-limited pulse
#987514
arXiv (All)
Filamentation ''remote'' sensing of chemical and biological agents/pollutants using only one femtosecond laser source
#395224
HAL Science
LDA-1/2 for Molecular Systems: A Real-Space Finite-Element Benchmark on the GW100 Set
#779568
arXiv (OAI Expanded)
LDA-1/2 for Molecular Systems: A Real-Space Finite-Element Benchmark on the GW100 Set
#780943
arXiv (All)
Constrained dynamics for searching saddle points on embedded Riemannian submanifolds of Euclidean space
#919809
arXiv (OAI Expanded)
Modeling Reactions on the Solid-Liquid Interface With Next Generation Extended Lagrangian Quantum-Based Molecular Dynamics
#920184
arXiv (OAI Expanded)
Constrained dynamics for searching saddle points on embedded Riemannian submanifolds of Euclidean space
#924038
arXiv (All)
Modeling Reactions on the Solid-Liquid Interface With Next Generation Extended Lagrangian Quantum-Based Molecular Dynamics
#924415
arXiv (All)
Core-Level Spectroscopy Decodes Bond-Alternation Dynamics of Cyclo[18]Carbon
#974994
arXiv (All)
Implementing QESEM's High-Accuracy Error Mitigation on a Quantum Computer: a Water Potential Energy Surface Study
#975335
arXiv (All)
Strong Evidence for Formation of Hydroxyl Anion via 2-Particle-1-Hole Feshbach Resonances
#975371
arXiv (All)
Structure-Informed Bayesian Inference of Anomalous Transport and Hidden Molecular Trapping in Amorphous Media
#986418
arXiv (All)
A fast physics-based matrix model for the impedance of a PEM fuel cell: Incorporating functionally graded catalyst layer and channel impedances
#1035849
arXiv (All)
The Marangoni flow of soluble amphiphiles
#970920
HAL Science
Surface sites drive Fe enrichment at reactive olivine interfaces
#152946
arXiv (OAI)
Roadmap on Advancements of the FHI-aims Software Package
#155565
arXiv (OAI)
Accurate and Transferable Intermolecular Potential Based on Machine-Learned Molecular Electron Density
#657169
arXiv (OAI Expanded)
Accurate and Transferable Intermolecular Potential Based on Machine-Learned Molecular Electron Density
#659305
arXiv (All)
Role of anisotropic electronic friction in laser-driven hydrogen recombination on copper
#664196
arXiv (OAI Expanded)
Role of anisotropic electronic friction in laser-driven hydrogen recombination on copper
#665696
arXiv (All)
A Unified Statistical Procedure to Analyse Irreversible Thermal Curves
#674102
arXiv (OAI Expanded)
A Unified Statistical Procedure to Analyse Irreversible Thermal Curves
#677299
arXiv (All)
A reaction volume bias Monte Carlo trial for sampling chemisorption in confinement
#788517
arXiv (OAI Expanded)
A reaction volume bias Monte Carlo trial for sampling chemisorption in confinement
#792517
arXiv (All)
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