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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
Balanced and broadly-normed meta-generalized gradient approximation
#986643
arXiv (All)
Resolving the ground state intersection problem in coupled cluster theory
#997075
arXiv (All)
A Phase Space Electronic Structure View of The Solid State
#999280
arXiv (All)
Nonclassical condensation pathways revealed by the multivariable theory of nucleation
#1014779
arXiv (All)
ECENet: An Edge Cluster Expansion Line-Graph Neural Network
#1048880
arXiv (All)
Revealing the proton slingshot mechanism in solid acid electrolytes through machine learning molecular dynamics
#179132
arXiv (OAI)
Gas-generating reactive flows in bicontinuous catalyst support structures
#616420
arXiv (OAI Expanded)
Gas-generating reactive flows in bicontinuous catalyst support structures
#616920
arXiv (All)
The chemRIXS Instrument for the LCLS-II X-Ray Free Electron Laser
#628093
arXiv (OAI Expanded)
The chemRIXS Instrument for the LCLS-II X-Ray Free Electron Laser
#629955
arXiv (All)
First-principles optical response of shock-compressed LiF: Quasiparticle, excitonic, and ionic-temperature effects
#821545
arXiv (All)
Logarithmic-scale variational quantum eigensolver for off-lattice protein structure prediction in continuous torsional angle space
#822514
arXiv (All)
RBMD 2.0: Random batch molecular dynamics package for large-scale simulations on multi-GPU architectures
#920600
arXiv (OAI Expanded)
RBMD 2.0: Random batch molecular dynamics package for large-scale simulations on multi-GPU architectures
#924834
arXiv (All)
Dramatic Enhancement of Supercontinuum Generation in H$_2$O by Non-Harmonic Two-Color Excitation
#974219
arXiv (All)
Partitioning Law of Polymer Chains into Flexible Polymer Networks
#984047
arXiv (All)
All-electron Dynamical Bethe-Salpeter Equation for Extended Systems with Atom-centered Orbital Basis
#998254
arXiv (All)
Machine learning kinetics from molecular dynamics data
#1011460
arXiv (All)
Real-Space Chemistry on Quantum Computers: A Fault-Tolerant Algorithm with Adaptive Grids and Transcorrelated Extension
#1034664
arXiv (All)
Reduction of finite-size effects for second-order Møller-Plesset perturbation theory with singularity subtraction
#1036699
arXiv (All)
AI-assisted analytical theory in soft matter and multiphysics: new results and lessons from diffusiophoresis and bipolar membranes
#1050119
arXiv (All)
Mass-Scaling of Quantum Tunnelling in Hydrogen Bonds: Analytical Model and Comparison with Multidimensional Potentials
#1051567
arXiv (All)
Probing the $B^{0}$ meson in a hot medium with finite baryon chemical potential
#985667
arXiv (All)
Chiral induced Spin Polarized Electron Current: Origin of the Chiral Induced Spin Selectivity Effect
#147043
arXiv (OAI)
Lower Bound on the Representation Complexity of Antisymmetric Tensor Product Functions
#147045
arXiv (OAI)
When do machine-learned exchange-correlation improvements inherit into density-functional tight binding?
#609294
arXiv (OAI Expanded)
Electrostatic control of Li+ density and transport rate in double-gated van der Waals devices
#674566
arXiv (OAI Expanded)
Low-Scaling Many-Body Green's Function Calculations for Molecular Systems via Interacting-Bath Dynamical Embedding Theory
#821825
arXiv (All)
Free-particle Green's function matrix elements over spherical Gaussian and plane-wave-modulated Gaussian basis functions
#920340
arXiv (OAI Expanded)
A Wannier-first approach for extended chiral systems
#920453
arXiv (OAI Expanded)
GW and Bethe-Salpeter Theory for Molecular Polaritons, Quasiparticles, and Excitons
#921019
arXiv (OAI Expanded)
Free-particle Green's function matrix elements over spherical Gaussian and plane-wave-modulated Gaussian basis functions
#924572
arXiv (All)
A Wannier-first approach for extended chiral systems
#924687
arXiv (All)
GW and Bethe-Salpeter Theory for Molecular Polaritons, Quasiparticles, and Excitons
#925255
arXiv (All)
Three-Electrode TiO2 + rGO Cells: Classical Controls and Interpretation within a Quantum-Discord Framework
#927552
arXiv (All)
Lattice Matching Dictates the Growth Mode and Quality of Deuterium Crystallization in Confined Spherical Shells
#986274
arXiv (All)
End-Functionalized Ions Promote Stability of Highly Frustrated Phases in Diblock Copolymers
#998263
arXiv (All)
Machine learning for sample-based quantum diagonalization: a review of generative configuration recovery and the classical-simulability frontier
#1035580
arXiv (All)
Polar vibrational excitations and glass-like response in relaxor PMN
#1050286
arXiv (All)
Atomistic Modeling of Chemical Disorder in Materials: Bridging Conventional Methods and AI-Assisted Approaches
#973180
arXiv (All)
Physics-Guided Concentration Inference from Resistance Transients in a Mixed-Phase SnO-SnO$_2$ Carbon Monoxide Sensor with p-n Switching
#797493
arXiv (OAI Expanded)
Physics-Guided Concentration Inference from Resistance Transients in a Mixed-Phase SnO-SnO$_2$ Carbon Monoxide Sensor with p-n Switching
#798907
arXiv (All)
Activated carbon-assisted anionic dye decomposition using a dual-liquid post-double dielectric barrier discharge plasma reactor
#971407
arXiv (All)
Computational Quantum Mechanics of Molecular and Extended Systems
#3202
MIT OpenCourseWare
Atmospheric Physics and Chemistry
#66833
MIT OpenCourseWare
A Scalable Diagonalization Framework for Tensor-Product Bitstring Selected Configuration Interaction
#179129
arXiv (OAI)
Infinite variety of thermodynamic speed limits with general activities
#189232
arXiv (OAI)
Elucidating Trace Gas Interactions with Ice Surfaces using Molecular Dynamics
#609270
arXiv (OAI Expanded)
Separation of Flexible Enantiomers Using Shear Flow
#609278
arXiv (OAI Expanded)
A Machine-Learning Framework for Efficient Ring-Polymer Instanton Rate Calculations
#613955
arXiv (OAI Expanded)
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