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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
Coupled-Cluster Imaginary-Time Evolution and the Coupled-Cluster Energy Variance
#1013542
arXiv (All)
A Symmetry-Constrained Fourier--Morse Framework for Compact Anisotropic Interaction Potentials
#1034777
arXiv (All)
Orbital-Free Surrogate Functionals Yield Transferable Interatomic Potentials and Electron Densities
#1036271
arXiv (All)
After 100 Years of Quantum Mechanics: Toward a Constructive Observation-Centered Perspective
#628110
arXiv (OAI Expanded)
After 100 Years of Quantum Mechanics: Toward a Constructive Observation-Centered Perspective
#629972
arXiv (All)
Quantitative Scanning (Transmission) Electron Microscopy: Pushing the Boundaries of Nanoscale Chemical, Thermal, and Electrical Characterization
#651631
eScholarship
Symmetry Adapted Hierarchical Equations of Motion for Exact Simulations of Large Polariton Systems
#797645
arXiv (OAI Expanded)
Symmetry Adapted Hierarchical Equations of Motion for Exact Simulations of Large Polariton Systems
#799068
arXiv (All)
Quantum effects in biology: master equation studies of exciton motion in photosynthetic systems
#971602
arXiv (All)
The Origin of the Dynamical Quantum Non-locality
#160763
arXiv (OAI)
Ground and excited-state energies with analytic errors and short time evolution on a quantum computer
#627936
arXiv (OAI Expanded)
Ground and excited-state energies with analytic errors and short time evolution on a quantum computer
#629798
arXiv (All)
Vibrational frequencies and stark tuning rate with continuum electro-chemical models and grand canonical density functional theory
#674224
arXiv (OAI Expanded)
Vibrational frequencies and stark tuning rate with continuum electro-chemical models and grand canonical density functional theory
#677421
arXiv (All)
Polarization-dependent Intensity Ratios in Double Resonance Spectroscopy
#609731
arXiv (All)
Intracavity Photon Statistics from Correlated Molecular Electronic Structure
#661196
arXiv (OAI Expanded)
Intracavity Photon Statistics from Correlated Molecular Electronic Structure
#662246
arXiv (All)
First-order Degenerate Symmetry-Adapted Perturbation Theory
#975268
arXiv (All)
A Windowed Mean Trajectory Approximation for Condensed Phase Dynamics
#1014469
arXiv (All)
Perturbatively Corrected Linear Response Selected Configuration Interaction
#1014751
arXiv (All)
Intrinsic Matching Frustration in Fluctuating Finite Systems
#1035548
arXiv (All)
What is the diatomic molecule with the largest dipole moment?
#177093
arXiv (OAI)
Dual-Path Mechanism of Amino Acid Racemization Mediated by Quantum Mechanical Tunneling
#611264
arXiv (OAI Expanded)
Dual-Path Mechanism of Amino Acid Racemization Mediated by Quantum Mechanical Tunneling
#612741
arXiv (All)
Quantum Boltzmann Equation Self-Consistent-Field for the Entropic Regularization of Mean-Field Singularities
#633654
arXiv (OAI Expanded)
Quantum Boltzmann Equation Self-Consistent-Field for the Entropic Regularization of Mean-Field Singularities
#636003
arXiv (All)
Competing Energetics Govern Gas Permeation in Polymer of Intrinsic Microporosity (PIM) Membranes
#668665
arXiv (OAI Expanded)
Competing Energetics Govern Gas Permeation in Polymer of Intrinsic Microporosity (PIM) Membranes
#670730
arXiv (All)
Bridging Quantum Mechanics to Liquid Properties via a Universal Organic Force Field
#674207
arXiv (OAI Expanded)
Bridging Quantum Mechanics to Liquid Properties via a Universal Organic Force Field
#677404
arXiv (All)
Modifying van der Waals Materials via Cavity Vacuum Fluctuations
#788522
arXiv (OAI Expanded)
Modifying van der Waals Materials via Cavity Vacuum Fluctuations
#792522
arXiv (All)
Polarizable atomic multipoles for learning long-range electrostatics
#809370
arXiv (OAI Expanded)
Polarizable atomic multipoles for learning long-range electrostatics
#819363
arXiv (All)
Quantum matrix arithmetics with Hamiltonian evolution
#821411
arXiv (All)
Voltage-embedded equivariant machine learning potential for open system simulations
#927963
arXiv (All)
Nuclear quantum effects in the thermal conductivity of solid hydrogen
#971920
arXiv (All)
SelfTICA: contrastive learning of dynamical representations for rare-event sampling and characterization
#987708
arXiv (All)
Near-frustration-free electronic structure Hamiltonian representations and lower bound certificates
#998101
arXiv (All)
Efficient tensorized evaluation of permutation invariant polynomials for representing potential energy surfaces
#1014174
arXiv (All)
Can Chemically Inspired Parameter Initialization Mitigate Barren Plateaus in Variational Quantum Eigensolvers?
#1037412
arXiv (All)
Towards a Universal Foundation Model for Protein Dynamics: A Multi-Chain Tree-Structured Framework with Transformer Propagators
#144251
arXiv (OAI)
Reconciling chemical models of X-ray Thomson Scattering with the Bethe $f$-sum rule
#661412
arXiv (OAI Expanded)
Reconciling chemical models of X-ray Thomson Scattering with the Bethe $f$-sum rule
#662462
arXiv (All)
NaCl-Assisted Chemical Vapor Deposition of Monolayer MoS₂: A Review
#186632
OSF
Efficient Auxiliary-Field Quantum Monte Carlo using Isometric Tensor Hypercontraction
#617513
arXiv (OAI Expanded)
Efficient Auxiliary-Field Quantum Monte Carlo using Isometric Tensor Hypercontraction
#618013
arXiv (All)
Optimizing Subspace Expansion in Quantum Chemistry through Operator Selection and Reference State Choice
#619083
arXiv (OAI Expanded)
Optimizing Subspace Expansion in Quantum Chemistry through Operator Selection and Reference State Choice
#620762
arXiv (All)
Negative Electronic Friction and Non-Markovianity in Nonequilibrium Quantum Systems
#799990
arXiv (All)
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