Parallel constrained molecular dynamics

DOI10.1023/A:1019170032549zbMath1058.65511MaRDI QIDQ1587048

Pierre-Eric Bernard, Olivier Coulaud

Publication date: 22 November 2000

Published in: Numerical Algorithms (Search for Journal in Brave)

zbMATH Keywords

parallelismNewton methodmolecular dynamicsconstraintsdifferential algebraic systemShake algorithm

Mathematics Subject Classification ID

Computational methods for problems pertaining to mechanics of particles and systems (70-08) Biochemistry, molecular biology (92C40) Numerical methods for differential-algebraic equations (65L80)

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