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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
TSBench: A physics-grounded benchmark for evaluating LLM understanding of chemical reaction mechanisms
#985853
arXiv (All)
Advances in Chemical Physics
#490625
Open Library
Towards Application of Nanodiamonds for in-situ Monitoring of Radicals in Liquid Phase Chemical Reactions
#820432
arXiv (All)
ChemReporter: A Framework for Curating and Exporting Large-Scale Chemical Datasets for MLIP Training
#619132
arXiv (OAI Expanded)
ChemReporter: A Framework for Curating and Exporting Large-Scale Chemical Datasets for MLIP Training
#620811
arXiv (All)
Asymmetry Control in a Parametric Oscillator for the Quantum Simulation of Chemical Activation
#160825
arXiv (OAI)
Chemical potentials from structure factors: II. Charged multi-component mixtures
#820684
arXiv (All)
Reference-Density Hartree Screening for Gausslet Hamiltonians
#821498
arXiv (All)
The Harrow-Hassidim-Lloyd algorithm with qutrits
#789514
arXiv (OAI Expanded)
The Harrow-Hassidim-Lloyd algorithm with qutrits
#793518
arXiv (All)
Cosmic Origin of the Chemical Elements
#3405
MIT OpenCourseWare
Digital Surfactant
#789523
arXiv (OAI Expanded)
Digital Surfactant
#793527
arXiv (All)
Rule-Based Gillespie Simulation of Chemical Systems
#668306
arXiv (OAI Expanded)
Rule-Based Gillespie Simulation of Chemical Systems
#670371
arXiv (All)
Parallel athermal quasistatic deformation stepping of molecular systems
#179207
arXiv (OAI)
High-energy nitrogen rings stabilized by superatom properties
#611232
arXiv (OAI Expanded)
High-energy nitrogen rings stabilized by superatom properties
#612709
arXiv (All)
Utility-scale quantum computational chemistry
#628080
arXiv (OAI Expanded)
Utility-scale quantum computational chemistry
#629942
arXiv (All)
Multipole splats for optimized and inverted effective potentials
#987045
arXiv (All)
Aitomia: Your Intelligent Assistant for AI-Driven Atomistic and Quantum Chemical Simulations
#633240
arXiv (OAI Expanded)
Aitomia: Your Intelligent Assistant for AI-Driven Atomistic and Quantum Chemical Simulations
#635589
arXiv (All)
Variational Quantum Eigensolver-Based Quantum Bootstrap Embedding for Molecules
#608908
arXiv (OAI Expanded)
Variational Quantum Eigensolver-Based Quantum Bootstrap Embedding for Molecules
#609970
arXiv (All)
Stochastic Tensor Contraction for Efficient MP2 Exchange
#925530
arXiv (All)
Modeling and Control of a Chemical Process Network Using Physics-Informed Transfer Learning
#288530
ScholarBank@NUS
Projected q-Shells for Nested Gausslet Bases
#783185
arXiv (OAI Expanded)
Projected q-Shells for Nested Gausslet Bases
#784775
arXiv (All)
Positron annihilation in polyethylene samples studied by DBARL
#624988
HAL Science
Positron annihilation studies in solid lanthanid trisacetylacetonates
#624989
HAL Science
Advances in Chemical Physics
#17993
Open Library
HIP: Hessian Interatomic Potentials without derivatives
#650650
arXiv (OAI Expanded)
HIP: Hessian Interatomic Potentials without derivatives
#652103
arXiv (All)
Diffusion under competing bulk and surface stopping mechanisms
#972185
arXiv (All)
Importance-Reweighted Fock-Space Variational Monte Carlo
#1012314
arXiv (All)
Quantum resonant tunnelling enhances hydrogen bond rotation of confined water
#611207
arXiv (OAI Expanded)
Quantum resonant tunnelling enhances hydrogen bond rotation of confined water
#612684
arXiv (All)
Scientific applications of quantum computing: challenges and opportunities
#622875
arXiv (OAI Expanded)
Scientific applications of quantum computing: challenges and opportunities
#625148
arXiv (All)
Propagating sparsely supported states with time-dependent neural quantum states
#973664
arXiv (All)
Mixed quantum-classical evolution in open molecular systems
#975323
arXiv (All)
SmileyLlama: Modifying Large Language Models for Directed Chemical Space Exploration
#139090
arXiv (OAI)
Enumerating Chemical Structures, Stereoisomers, and Stereogenic Units with Analytic Combinatorics
#921079
arXiv (OAI Expanded)
Enumerating Chemical Structures, Stereoisomers, and Stereogenic Units with Analytic Combinatorics
#925315
arXiv (All)
Positronium formation and fast radiolytic processes in polar solvents
#624974
HAL Science
Recovering molecules from coarse-grained beads: free-energy-conditioned generative backmapping across chemical space
#927722
arXiv (All)
How to use quantum computers for biomolecular free energies
#160906
arXiv (OAI)
Unidirectional Oriented Water Wire in Short Nanotube
#611200
arXiv (OAI Expanded)
Unidirectional Oriented Water Wire in Short Nanotube
#612677
arXiv (All)
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