ESPResSo++ 2.0: advanced methods for multiscale molecular simulation

DOI10.1016/J.CPC.2018.12.017arXiv1806.10841OpenAlexW2810800703WikidataQ62000384 ScholiaQ62000384MaRDI QIDQ6042327

Christoph Junghans, Kurt Kremer, Hideki Kobayashi, Karsten Kreis, Torsten Stuehn, Aoife C. Fogarty, Nikita Tretyakov, Horacio V. Guzman, Jakub Krajniak

Publication date: 10 May 2023

Published in: Computer Physics Communications (Search for Journal in Brave)

Full work available at URL: https://arxiv.org/abs/1806.10841

zbMATH Keywords

molecular dynamicscomputational physicsmultiscale modelingmolecular simulationscoarse graininglattice Boltzmannsoft matterhigh performance computer

Mathematics Subject Classification ID

Fluid mechanics (76-XX) Statistical mechanics, structure of matter (82-XX)

Cites Work

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• Statistical physics problems in adaptive resolution computer simulations of complex fluids
• Fast parallel algorithms for short-range molecular dynamics
• Molecular systems with open boundaries: theory and simulation
• Fractional dimensions of phase space variables: a tool for varying the degrees of freedom of a system in a multiscale treatment
• Lattice BGK Models for Navier-Stokes Equation
• Multiple–relaxation–time lattice Boltzmann models in three dimensions
• Statistical Mechanics of Fluid Mixtures

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