High-pressure Ion Trap
Evgeny V. Krylov
Chemical Physics papers — page 91
physics.chem-phBrowse archive
A Deep Learning Framework for the Electronic Structure of Water: Towards a Universal Model
Xinyuan Liang, Renxi Liu, Mohan ChenH2-roaming dynamics in the formation of H3+ following two-photon double ionization of ethanol and aminoethanol
Aaron Ngai, Sebastian Hartweg, Jakob D. Asmussen et al.The Molecular Quantum electro-Dynamics Research Group in Budapest
Edit MatyusPerforming Path Integral Molecular Dynamics Using Artificial Intelligence Enhanced Molecular Simulation Framework
Cheng Fan, Maodong Li, Sihao Yuan et al.Optimal Invariant Bases for Atomistic Machine Learning
Alice E. A. Allen, Emily Shinkle, Roxana Bujack et al.A low-cost four-component relativistic coupled cluster linear response theory based on perturbation sensitive natural spinors
Sudipta Chakraborty, Amrita Manna, T. Daniel Crawford et al.Extending ring polymer molecular dynamics rate theory to reactions with non-separable reactants
Chen Li, Liang Zhang, Bin Jiang et al.Quantum Many-Body Linear Algebra, Hamiltonian Moments, and a Coupled Cluster Inspired Framework
Yuhang Ai, Huanchen Zhai, Johannes Tölle et al.Leveraging MMW-MMW Double Resonance Spectroscopy to Understand the Pure Rotational Spectrum of Glycidaldehyde and 17 of Its Vibrationally Excited States
Luis Bonah, Jean-Claude Guillemin, Arnaud Belloche et al.Non-linear and non-empirical double hybrid density functional
Danish KhanTwo-dimensional electronic spectroscopy in the condensed phase using equivariant transformer accelerated molecular dynamics simulations
Joseph Kelly, Frank Hu, Arianna Damiani et al.Analogue of the Mpemba effect in classical mechanics
Alexei V. FinkelsteinEnhancing Accuracy of Quantum-Selected Configuration Interaction Calculations using Multireference Perturbation Theory: Application to Aromatic Molecules
Soichi Shirai, Shih-Yen Tseng, Hokuto Iwakiri et al.Ostwald Ripening of Buoyancy-Driven Microbubbles
Yuki UematsuRadiative stabilization of the indenyl cation: Recurrent fluorescence in a closed-shell polycyclic aromatic hydrocarbon
James N. Bull, Arun Subramani, Chang Liu et al.Extracting Coupling-Mode Spectral Densities with Two-Dimensional Electronic Spectroscopy
Roosmarijn de Wit, Jonathan Keeling, Brendon W. Lovett et al.High efficiency quantification of 90Sr contamination in cow milk after a nuclear accident
Q. Rogliardo, A. Kanellakopoulos, H. Corcelle et al.Ultrafast Charge-Transfer and Auger Decay Processes in Aqueous CaCl2 Solution: Insights from Core-Level Spectroscopy
Denis Céolin, Tsveta Miteva, Jean-Pascal Rueff et al.Stress-driven whisker formation in lithium metal batteries
Martin Werres, Dariusz Niedziela, Arnulf Latz et al.Illuminating Protein Dynamics: A Review of Computational Methods for Studying Photoactive Proteins
Sylwia Czach, Jakub Rydzewski, Wiesław NowakStructural bias in three-dimensional autoregressive generative machine learning of organic molecules
Zsuzsanna Koczor-Benda, Joe Gilkes, Francesco Bartucca et al.Reaction Dynamics of the H + HeH+ → He + H2+ System
Meenu Upadhyay, Silvan Käser, Jayakrushna Sahoo et al.Optimal Rejection-Free Path Sampling
Gianmarco Lazzeri, Peter G. Bolhuis, Roberto CovinoKinetics of seeded protein aggregation: theory and application
Alexander J. Dear, Georg Meisl, Jing Hu et al.