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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
Diagnosing Latent Energy Decomposition in Machine-Learning Interatomic Potentials via Interacting Quantum Atoms
#820096
arXiv (All)
Energy-Specific Bethe-Salpeter Equation Implementation for Efficient Optical Spectrum Calculations
#821675
arXiv (All)
Reactive Flux Matching: Mechanism Discovery and Adaptive Sampling of Rare Events
#974452
arXiv (All)
Explicit block encodings of rate matrices for simulating polymerization kinetics on quantum computers
#985787
arXiv (All)
Multi-contrast wide-field mid-infrared photothermal imaging
#1012562
arXiv (All)
CDFCI: High-Performance Parallel Software for Quantum Many-Body Eigenvalue Problems
#1013562
arXiv (All)
A Unified Semiclassical Framework for Ultrafast Competitive Electron Transfer in Multiredox Molecular Systems
#1014534
arXiv (All)
Why Multi-Layer Message Passing Works: Completeness Theory for Graph Neural Network Interatomic Potentials
#822034
arXiv (All)
Frenkel line of Yukawa fluids within the self-consistent relaxation theory
#926510
arXiv (All)
Orbital-Optimized Quasi-Variational Distinguishable Cluster Doubles Method
#661057
arXiv (OAI Expanded)
Orbital-Optimized Quasi-Variational Distinguishable Cluster Doubles Method
#662107
arXiv (All)
Third-order Algebraic Diagrammatic Construction Renormalized by Particle-Particle Ladders
#788432
arXiv (OAI Expanded)
Third-order Algebraic Diagrammatic Construction Renormalized by Particle-Particle Ladders
#792432
arXiv (All)
Ultrafast laser-driven quantum dynamics in positronium chloride
#799979
arXiv (All)
Examination of Cluster Based Methods to Fermionic Systems
#986411
arXiv (All)
Orbital choice in constructing model Hamiltonians
#986466
arXiv (All)
Agentic AI for Density-Functional Development: Revisiting r2SCAN
#1014013
arXiv (All)
Hydrogen Reorganization in Hot Dense Ammonia
#1014195
arXiv (All)
Enriching molecular Raman spectroscopy with vibrational strong coupling
#1035940
arXiv (All)
Investigating palindromic RNA structures: A computational approach to RNA self-interactions
#368785
RUcore, Rutgers University Community Repository
Metallic solid-state hydrogen storage crystals achieved through chemical precompression under ambient conditions
#613923
arXiv (OAI Expanded)
Metallic solid-state hydrogen storage crystals achieved through chemical precompression under ambient conditions
#614890
arXiv (All)
Electronic quantum effect on hydrogen bond geometry in water dimer
#611194
arXiv (OAI Expanded)
Sequential Flipping: A Donor-Acceptor Exchange Mechanism in Water Trimer
#611229
arXiv (OAI Expanded)
Electronic quantum effect on hydrogen bond geometry in water dimer
#612671
arXiv (All)
Sequential Flipping: A Donor-Acceptor Exchange Mechanism in Water Trimer
#612706
arXiv (All)
Quantum critical behavior in chains of hindered dipolar planar rotors
#656932
arXiv (OAI Expanded)
Quantum critical behavior in chains of hindered dipolar planar rotors
#659068
arXiv (All)
Genetically encoding stimulated Raman-scattering probes for cell imaging using infrared fluorescent proteins
#661334
arXiv (OAI Expanded)
Genetically encoding stimulated Raman-scattering probes for cell imaging using infrared fluorescent proteins
#662384
arXiv (All)
Model-free Reconstruction of Molecular Energy Levels by Broadband Kilohertz-accurate Cavity-enhanced Spectroscopy
#783204
arXiv (OAI Expanded)
Model-free Reconstruction of Molecular Energy Levels by Broadband Kilohertz-accurate Cavity-enhanced Spectroscopy
#784794
arXiv (All)
Visualizing and Quantifying Atomic Contributions to Raman Intensities governed by Spatially-Resolved Atomic Interferences
#797667
arXiv (OAI Expanded)
Visualizing and Quantifying Atomic Contributions to Raman Intensities governed by Spatially-Resolved Atomic Interferences
#799090
arXiv (All)
Particle-Mediated Tuning of Defect Stability in Lamellar Block Copolymer Systems
#809026
arXiv (OAI Expanded)
Particle-Mediated Tuning of Defect Stability in Lamellar Block Copolymer Systems
#819018
arXiv (All)
Interacting-bath dynamical embedding for capturing non-local electron correlation in solids
#821655
arXiv (All)
Learning multistate kinetics with a variational multistate committor network
#927737
arXiv (All)
AESOPUS 2.0: Low-Temperature Opacities with Solid Grains
#935544
SISSA Open Data Dataverse OAI Archive
Updated Low-Temperature Gas Opacities with ÆSOPUS 2.0
#935548
SISSA Open Data Dataverse OAI Archive
From London to Morse via Binnig, Quate, and Gerber
#985780
arXiv (All)
Quantum electrodynamics of equilibrium systems: A rigorous Maxwell-regularized functional-theoretic formulation
#1012517
arXiv (All)
Theory of Lineshapes in Optical-Optical Double Resonance Spectroscopy
#609897
arXiv (All)
Empowering Polymeric Materials Discovery by Artificial Intelligence
#614100
arXiv (OAI Expanded)
Empowering Polymeric Materials Discovery by Artificial Intelligence
#615067
arXiv (All)
Förster resonance energy transfer with transient coherent effects
#650752
arXiv (OAI Expanded)
Förster resonance energy transfer with transient coherent effects
#652205
arXiv (All)
Resolving Spin-Phonon Relaxation Pathways in Molecular Qubits via Regularized Regression
#779734
arXiv (OAI Expanded)
Resolving Spin-Phonon Relaxation Pathways in Molecular Qubits via Regularized Regression
#781109
arXiv (All)
Simulating spectrally resolved exciton--exciton-interaction pump--probe spectroscopy
#789261
arXiv (OAI Expanded)
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