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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
Model density approach to Ewald summations
#664135
arXiv (OAI Expanded)
Model density approach to Ewald summations
#665635
arXiv (All)
Quantum-classical solvation hydrodynamics: a Hamiltonian modeling framework
#820449
arXiv (All)
Reaching precise proton affinities in non-Born-Oppenheimer calculations
#149229
arXiv (OAI)
Semi-Local Exchange-Correlation Approximations in Density Functional Theory
#609873
arXiv (All)
A Deterministic Framework for Neural Network Quantum States in Quantum Chemistry
#650737
arXiv (OAI Expanded)
A Deterministic Framework for Neural Network Quantum States in Quantum Chemistry
#652190
arXiv (All)
Operando imaging of intercalation memory in MXenes
#971938
arXiv (All)
Nonlinear Freezing of Vibrational Polariton Transport via Mesoscale Simulations
#987728
arXiv (All)
Moment-informed force rescaling for random-batch Langevin dynamics
#1012575
arXiv (All)
Information geometric bound on general chemical reaction networks
#788590
arXiv (OAI Expanded)
Information geometric bound on general chemical reaction networks
#792590
arXiv (All)
Equilibre entre phases aqueuses et TBP/Bumim Tf2N: solubilisations mutuelles ou extraction ?
#652899
HAL Science
Accelerated free energy estimation in ab initio path integral Monte Carlo simulations
#177095
arXiv (OAI)
GPU implementation of mixed quantum-classical Liouville molecular dynamics without momentum jump
#609700
arXiv (All)
Kinetic modeling of molecular beam formation in a cryogenic buffer-gas cell
#999068
arXiv (All)
Efficient measurement schemes for the Monte Carlo projective quantum eigensolver
#808681
arXiv (OAI Expanded)
Efficient measurement schemes for the Monte Carlo projective quantum eigensolver
#818673
arXiv (All)
What solvable models reveal about Born-Oppenheimer, Born-Huang, and exact factorization
#920985
arXiv (OAI Expanded)
What solvable models reveal about Born-Oppenheimer, Born-Huang, and exact factorization
#925220
arXiv (All)
Quantum-Classical Fragmentation with the Effective Fragment Molecular Orbital Method
#1013255
arXiv (All)
Floquet-Plasmon Enhanced Charge Transfer at Catalytic Interfaces
#1013323
arXiv (All)
Uranyl speciation at the water / mineral interface: XPS; TRFLS and XAFFS studies
#635098
HAL Science
Quantum-corrected NMR crystallography at scale
#661359
arXiv (OAI Expanded)
Quantum-corrected NMR crystallography at scale
#662409
arXiv (All)
Collisional unfolding of quantum Darwinism
#955756
Koc University Digital Collections
Machine-Learned Dynamical Representations for Accelerated RiteWeight Convergence
#1013984
arXiv (All)
Entropy Estimates from Stochastic Interpolants
#1014868
arXiv (All)
Quantum tunnelling in hydrogen atom transfer brings uncertainty to polymer degradation
#611208
arXiv (OAI Expanded)
Quantum tunnelling in hydrogen atom transfer brings uncertainty to polymer degradation
#612685
arXiv (All)
A quadratic-scaling algorithm with guaranteed convergence for quantum coupled-channel calculations
#674272
arXiv (OAI Expanded)
A quadratic-scaling algorithm with guaranteed convergence for quantum coupled-channel calculations
#677469
arXiv (All)
Operational Regimes of Ternary $Γ$-Semiring Chemical Systems
#623215
arXiv (OAI Expanded)
Operational Regimes of Ternary $Γ$-Semiring Chemical Systems
#625488
arXiv (All)
Scaling up the transcorrelated density matrix renormalization group
#128413
arXiv (OAI)
Precise Quantum Chemistry calculations with few Slater Determinants
#147069
arXiv (OAI)
Mixture of experts architectures for machine learning interatomic potentials
#613983
arXiv (OAI Expanded)
Mixture of experts architectures for machine learning interatomic potentials
#614950
arXiv (All)
Local, mm-scale $^1$H magnetic resonance imaging using atomic vapors
#668574
arXiv (OAI Expanded)
Local, mm-scale $^1$H magnetic resonance imaging using atomic vapors
#670639
arXiv (All)
Variation on the theme of Jarzynski's inequality
#927206
arXiv (All)
Cost-effective scalable quantum error mitigation for tiled Ansätze
#974272
arXiv (All)
Hierarchical Reconstruction of Time-arrow from Multi-time Correlations
#985062
arXiv (All)
Selected Coupled Cluster Guided by Selected Configuration Interaction
#997810
arXiv (All)
Electron spectra from strong-field enhanced ionization in heavy water
#1011110
arXiv (All)
Chirality enhances diffusion in disordered environments
#1011216
arXiv (All)
METALICA: METAdynamics and repLICA exchange for enhanced diffusion sampling
#1011538
arXiv (All)
Time-Dependent Density Functional Theory with Coulomb Interactions
#1012335
arXiv (All)
Quantum-Classical Effective Fragment Potential Embedding for Condensed-Phase Quantum Chemistry
#1013229
arXiv (All)
Coupled-Cluster Imaginary-Time Evolution and the Coupled-Cluster Energy Variance
#1013542
arXiv (All)
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