From enhanced sampling to reaction profiles
Enrico Trizio, Michele Parrinello
Computational Physics papers — page 127
physics.comp-phBrowse archive
Unified gas-kinetic wave-particle methods VI: Disperse dilute gas-particle multiphase flow
Xiaojian Yang, Chang Liu, Xing Ji et al.Exponential and Weibull models for spherical and spherical-shell diffusion-controlled release systems with semi-absorbing boundaries
Elliot J. CarrCOMSOL implementation of the H-φ-formulation with thin cuts for modeling superconductors with transport currents
Alexandre Arsenault, Bruno de Sousa Alves, Frédéric SiroisA computational framework for rheologically complex thermo-visco-elastic materials
Pietro Lenarda, Marco PaggiEquation of state driven radiative models for simulation of lightning strikes
M. Apsley, S. T. Millmore, N. NikiforakisDeep learning the slow modes for rare events sampling
Luigi Bonati, GiovanniMaria Piccini, Michele ParrinelloA Batched GPU Methodology for Numerical Solutions of Partial Differential Equations
Enda Carroll, Andrew Gloster, Miguel D. Bustamante et al.Advances in multiscale modeling for novel and emerging technologies
Alexey V. Verkhovtsev, Ilia A. Solov'yov, Andrey V. Solov'yovImproved Methods for Mixing-Limited Spray Modeling
Majid Haghshenas, Peetak P. Mitra, Chu Wang et al.The Eulerian Lagrangian Mixing-Oriented (ELMO) Model
David P. Schmidt, Majid Haghshenas, Peetak P. Mitra et al.Quantum-based Molecular Dynamics Simulations Using Tensor Cores
Joshua Finkelstein, Justin S. Smith, Susan M. Mniszewski et al.Accelerated identification of equilibrium structures of multicomponent inorganic crystals using machine learning potentials
Sungwoo Kang, Wonseok Jeong, Changho Hong et al.Radiation and Scattering of EM Waves in Large Plasmas Around Objects in Hypersonic Flight
A. Scarabosio, J. L. Araque Quijano, J. Tobon et al.DP Compress: a Model Compression Scheme for Generating Efficient Deep Potential Models
Denghui Lu, Wanrun Jiang, Yixiao Chen et al.Comparison of magnetic vector and total scalar potential formulations for finite-element modeling of dipole magnet with COMSOL Multiphysics
Alexander ChervyakovMachine learning enabled fast evaluation of dynamic aperture for storage ring accelerators
Jinyu Wan, Yi JiaoSolving the Eikonal equation for compressional and shear waves in anisotropic media using peridynamic differential operator
Ali Can Bekar, Erdogan Madenci, Ehsan Haghighat et al.MagTense: a micromagnetic framework using the analytical demagnetization tensor
R. Bjørk, E. B. Poulsen, K. K. Nielsen et al.Quantum spin solver near saturation: QS3~
Hiroshi Ueda, Seiji Yunoki, Tokuro ShimokawaData-driven simulation and characterisation of gold nanoparticle melting
Claudio Zeni, Kevin Rossi, Theodore Pavloudis et al.Inverse Design of Grating Couplers Using the Policy Gradient Method from Reinforcement Learning
Sean Hooten, Raymond G. Beausoleil, Thomas Van VaerenberghA Differentiable Neural-Network Force Field for Ionic Liquids
Hadrián Montes-Campos, Jesús Carrete, Sebastian Bichelmaier et al.Increasing stable time-step sizes of the free-surface problem arising in ice-sheet simulations
André Löfgren, Josefin Ahlkrona, Christian HelanowTowards targeted kinetic trapping of organic-inorganic interfaces: A computational case study
Anna Werkovits, Andreas Jeindl, Lukas Hörmann et al.