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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
Unraveling the PFAS helix: A statistical approach
#925318
arXiv (All)
Diabatic Seam Space Sampling for Hydrogen Tunneling Systems with Nuclear-Electronic Orbital Theory
#926805
arXiv (All)
Triboelectrification of a dense metal-organic framework for resilient mechanical energy harvesters
#927798
arXiv (All)
Liquid-liquid phase separation precedes crystallization in supercooled water-glycerol solutions
#971585
arXiv (All)
Modeling electrolytes in nanopores by Monte Carlo simulations and the Bazant--Storey--Kornyshev model
#997018
arXiv (All)
Fixed-Dimensional Latent Flow for Generating Variable-Size 3D Molecules
#998426
arXiv (All)
Kinetics of ferritin crystal formation and melting in acoustically levitated droplets
#998771
arXiv (All)
Brownian motion with geometry-dependent hydrodynamic memory
#1011405
arXiv (All)
Penentuan Konstanta Pengeringan Dalam Sistem Pengeringan Lapis Tipis (Thin Layer Drying)
#1015277
Diponegoro University | Institutional Repository (UNDIP-IR)
Truncated automatic sparse differentiation for machine learning interatomic potentials
#1034326
arXiv (All)
Discovering Physically Interpretable Mathematical Expression for Predicting CO2 Adsorption in Metal-Organic Frameworks via Machine Learning-Symbolic Regression
#610949
arXiv (OAI Expanded)
Discovering Physically Interpretable Mathematical Expression for Predicting CO2 Adsorption in Metal-Organic Frameworks via Machine Learning-Symbolic Regression
#612426
arXiv (All)
Explaining the observed long coherence effects by 2D photon echo experiments in photosynthetic EET : Two-Component Phonon Spectrum model
#971598
arXiv (All)
A new generation of effective core potentials: Selected heavy 5d and 6p elements
#997831
arXiv (All)
Detection of individual gas molecules adsorbed on graphene
#7019
OpenAlex
Correcting Delocalization Error in Materials with Localized Orbitals and Linear-Response Screening
#176988
arXiv (OAI)
Enhancing Performance of Solar-Powered MED: Effect of increasing TBT and Fouling
#191209
KFUPM ePrints
Universal Thermodynamic Interatomic Potentials for Crystalline Materials
#609662
arXiv (All)
Electronic structure contribution to hydrogen bonding interaction of a water dimer
#611190
arXiv (OAI Expanded)
Electronic structure contribution to hydrogen bonding interaction of a water dimer
#612667
arXiv (All)
Complete O(3) Interactions from Wigner-6j Recoupling to Local O(2) Frames
#622895
arXiv (OAI Expanded)
Complete O(3) Interactions from Wigner-6j Recoupling to Local O(2) Frames
#625168
arXiv (All)
ChemGraph-XANES: An Agentic Framework for XANES Simulation and Curation
#650822
arXiv (OAI Expanded)
ChemGraph-XANES: An Agentic Framework for XANES Simulation and Curation
#652275
arXiv (All)
libNLPBE: An Open-Source Python Package for Solving the Non-Linear Poisson-Boltzmann Equation
#789137
arXiv (OAI Expanded)
libNLPBE: An Open-Source Python Package for Solving the Non-Linear Poisson-Boltzmann Equation
#793141
arXiv (All)
Accurate and Efficient Prediction of Double Excitation Energies Using the Particle-Particle Random Phase Approximation
#821677
arXiv (All)
A Generalized Approach for Incorporating Geometry and Directionality into Coarse-Grained Machine-Learned Potentials
#822330
arXiv (All)
Effect of reactive targets on diffusive transport with intermittent restarts
#920013
arXiv (OAI Expanded)
Probing the structure of cyclic hydrocarbon molecules with X-ray-induced Coulomb explosion imaging
#920271
arXiv (OAI Expanded)
Reactive calcium carbonate precipitation from an atomic cluster expansion potential and enhanced sampling
#921176
arXiv (OAI Expanded)
Effect of reactive targets on diffusive transport with intermittent restarts
#924244
arXiv (All)
Probing the structure of cyclic hydrocarbon molecules with X-ray-induced Coulomb explosion imaging
#924502
arXiv (All)
Reactive calcium carbonate precipitation from an atomic cluster expansion potential and enhanced sampling
#925412
arXiv (All)
Superfluid stiffness for the attractive Hubbard model on a honeycomb optical lattice
#955761
Koc University Digital Collections
Collective Excitonic Structure Governs Anomalously Weak Thermal Optical Dephasing in Conjugated Polymers
#974835
arXiv (All)
Nonempirical Time-Dependent Density Functional Theory Framework for Nonlocal Exchange--Correlation Potentials
#1012761
arXiv (All)
Catalytic-Dielectric Barrier Discharge Plasma Reactor For Methane and Carbon Dioxide Conversion
#1015269
Diponegoro University | Institutional Repository (UNDIP-IR)
Development of a Non-Empirical Exchange-Hole Dipole Moment Dispersion Model
#1036359
arXiv (All)
ReaxKit: A Modular Python Toolkit for Preparing, Parsing, and Analyzing ReaxFF Molecular Dynamics Simulations
#1036405
arXiv (All)
A new framework for atom-resolved decomposition of second-harmonic generation in nonlinear-optical crystals
#1048618
arXiv (All)
Charge Transfer with a Spin. II: A Framework for Diabatization which Localizes Charge and Spin
#1052095
arXiv (All)
Analytical model for polarization transfer during gas-phase collision events in spin-exchange optical pumping: Spin-$\frac{1}{2}$ $^{129}$Xe versus spin-$\frac{3}{2}$ $^{131}$Xe
#971415
arXiv (All)
Separating perception from reasoning in vision-language models: a model-free render ceiling for crystal structures
#820085
arXiv (All)
Topological Flame Bifurcation, Aerodynamic Flashback Margins, and Multi-Pathway NOx Scaling in a 3D Swirl-Stabilized 100% Pure Hydrogen Aero-Engine Combustor
#1011332
arXiv (All)
Gradient-estimator design overcomes trainability barriers in neural-network-based variational optimization
#1037025
arXiv (All)
Quantitative Characterization of a Desalination Membrane Model System by X‑ray Photoelectron Spectroscopy
#620098
eScholarship
Anion promoted Ni-underpotential deposition on Au(111)
#652898
HAL Science
Development of Cathode Composite Materials for Improving Performance in All-Solid-State Lithium-Sulfur Batteries
#266770
KFUPM ePrints
Growth Of Indium Gallium Nitride By Metalorganic Chemical Vapor Deposition And Simulation For Solar Cell Application
#359528
USM Repository
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