Fast analysis of molecular dynamics trajectories with graphics processing units -- radial distribution function histogramming

DOI10.1016/J.JCP.2011.01.048zbMATH Open1221.82010OpenAlexW2086841337WikidataQ34895187 ScholiaQ34895187MaRDI QIDQ543778FDOQ543778

Axel Kohlmeyer, John E. Stone, Benjamin G. Levine

Publication date: 17 June 2011

Published in: Journal of Computational Physics (Search for Journal in Brave)

Full work available at URL: https://doi.org/10.1016/j.jcp.2011.01.048

zbMATH Keywords

GPGPUtwo-point correlation functionpair distribution function

Mathematics Subject Classification ID

Parallel numerical computation (65Y05) Software, source code, etc. for problems pertaining to statistical mechanics (82-04) Numerical algorithms for specific classes of architectures (65Y10)

Cites Work

• Title not available (Why is that?)
• Title not available (Why is that?)
• General purpose molecular dynamics simulations fully implemented on graphics processing units
• Quantum Monte Carlo on graphical processing units

Uses Software

• CUDA
• CHARMM
• VMD
• ACEMD

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