Results 271 to 280 of about 779,528 (296)

Improving the Accuracy of Atomistic Simulations of the Electrochemical Interface

Chemical Reviews, 2022
Ravishankar Sundararaman, Kathleen A Schwarz   +1 more
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Orbital-Free Density Functional Theory: An Attractive Electronic Structure Method for Large-Scale First-Principles Simulations

Chemical Reviews, 2023
Wenhui Mi, S B Trickey, Michele Pavanello   +2 more
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N-body simulations and galaxy photometry

1985
N-body models are now a standard tool to improve our understanding of galaxies. Since photometric and kinematic observations of a galaxy do not in general very strongly constrain a dynamical model, the main use of N-body simulations in this respect is to answer qualitative questions about the nature of possible equilibria.
openaire   +1 more source

Machine-learned potentials for next-generation matter simulations

Nature Materials, 2021
Pascal Friederich, Florian Häse, Jonny Proppe   +2 more
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Progress in CFD Simulations of Fluidized Beds for Chemical and Energy Process Engineering

Progress in Energy and Combustion Science, 2022
Falah Alobaid, Naser Almohammed, Massoud Massoudi Farid   +2 more
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Crystal Nucleation in Liquids: Open Questions and Future Challenges in Molecular Dynamics Simulations

Chemical Reviews, 2016
Gabriele Cesare Sosso, Ji Chen, Stephen J Cox   +2 more
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Molecular Dynamics Simulations of Ionic Liquids and Electrolytes Using Polarizable Force Fields

Chemical Reviews, 2019
Dmitry Bedrov, Jean-Philip Piquemal, Oleg Borodin   +2 more
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RNA Structural Dynamics As Captured by Molecular Simulations: A Comprehensive Overview

Chemical Reviews, 2018
Jiřı́ Šponer, Giovanni Bussi, Miroslav Krepl   +2 more
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Molecular Dynamics Simulations of Membrane Permeability

Chemical Reviews, 2019
Andreas Krämer, Richard W Pastor
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Cosmological simulations of galaxy formation

Nature Reviews Physics, 2020
Mark Vogelsberger, Federico Marinacci, Paul Torrey   +2 more
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