Centroid molecular dynamics: A quantum dynamics method suitable for the parallel computer

DOI10.1016/S0167-8191(00)00025-9MaRDI QIDQ1575587zbMATH OpenFDO

Authors N. Delaunay

Publication date 21 August 2000

Published in Parallel Computing (Search for Journal in Brave)

zbMATH Keywords

Molecular dynamicsQuantum dynamicsPath integrals

Mathematics Subject Classification ID

Computing methodologies and applications (68U99)

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Cited in

(9)

• Molecular systems with open boundaries: theory and simulation
• Quantum dynamics via adiabatic ab initio centroid molecular dynamics
• A formulation of the ring polymer molecular dynamics
• scientific article; zbMATH DE number 1595179 (Why is no real title available?)
• Ab initioquantum mechanical/molecular mechanical molecular dynamics using multiple-time-scale approach and perturbation theory
• Large nonadiabatic quantum molecular dynamics simulations on parallel computers
• Numerical calculations using the hyper-molecular dynamics simulation method
• A variational path integral molecular dynamics method applied to molecular vibrational fluctuations
• Computer simulation of the atomic behaviour in condensed phases

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