GPU-based molecular dynamics of turbulent liquid flows with OpenMM

DOI10.1007/978-3-031-30442-2_26MaRDI QIDQ6135472

Daniil Kolotinskii, Vladimir V. Stegailov, Daniil Pavlov

Publication date: 25 August 2023

Published in: Parallel Processing and Applied Mathematics (Search for Journal in Brave)

zbMATH Keywords

molecular dynamicsGPU computingperformance portabilityLAMMPSliquid flowsKOKKOSOpenMM

Mathematics Subject Classification ID

Research exposition (monographs, survey articles) pertaining to numerical analysis (65-02) Parallel numerical computation (65Y05) Turbulence (76F99) Research exposition (monographs, survey articles) pertaining to fluid mechanics (76-02)

Cites Work

• Implementing molecular dynamics on hybrid high performance computers-short range forces
• General purpose molecular dynamics simulations fully implemented on graphics processing units
• Fast parallel algorithms for short-range molecular dynamics
• Comparison of macro- and microscopic solutions of the Riemann problem. II: Two-phase shock tube
• Comparison of macro- and microscopic solutions of the Riemann problem. I: Supercritical shock tube and expansion into vacuum
• Atomistic methods in fluid simulation
• LAMMPS -- a flexible simulation tool for particle-based materials modeling at the atomic, meso, and continuum scales

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