✦ LIBER ✦

Multiple time-step methods in molecular dynamics

✍ Scribed by Streett, W.B.; Tildesley, D.J.; Saville, G.

Book ID: 115537059
Publisher: Taylor and Francis Group
Year: 1978
Tongue: English
Weight: 523 KB
Volume: 35
Category: Article
ISSN: 0026-8976
DOI: 10.1080/00268977800100471

No coin nor oath required. For personal study only.

📜 SIMILAR VOLUMES

Error and timing analysis of multiple ti

Error and timing analysis of multiple time-step integration methods for molecular dynamics

✍ Guowen Han; Yuefan Deng; James Glimm; Glenn Martyna 📂 Article 📅 2007 🏛 Elsevier Science 🌐 English ⚖ 390 KB

Ewald summation and multiple time step m

Ewald summation and multiple time step methods for molecular dynamics simulation of biological molecules

✍ Y. Komeiji 📂 Article 📅 2000 🏛 Elsevier Science 🌐 English ⚖ 246 KB

Parallel multiple-time-step molecular dy

Parallel multiple-time-step molecular dynamics with three-body interaction

✍ Aiichiro Nakano; Priya Vashishta; Rajiv K. Kalia 📂 Article 📅 1993 🏛 Elsevier Science 🌐 English ⚖ 902 KB

For particles interacting via two-and three-body potentials, a domain-decomposition algorithm is usi molecular dynamics (MD) on distributed memory MIMD (multiple-instruction multiple-data) computers employs the linked-cell-list method and separable three-body force calculation. The force calculation

Dangers of Multiple Time Step Methods

✍ Jeffrey J. Biesiadecki; Robert D. Skeel 📂 Article 📅 1993 🏛 Elsevier Science 🌐 English ⚖ 437 KB

A multiple time-step method for molecula

A multiple time-step method for molecular dynamics simulations of fluids of chain molecules

✍ R.D Swindoll; J.M Haile 📂 Article 📅 1984 🏛 Elsevier Science 🌐 English ⚖ 566 KB

Increasing the time step in molecular dy

Increasing the time step in molecular dynamics

✍ Anna M. Nyberg; Tamar Schlick 📂 Article 📅 1992 🏛 Elsevier Science 🌐 English ⚖ 733 KB

We examine how the two properties ofthe Langevinlimplicit-Euler scheme for molecular dynamics (MD) -stability over large time steps and damping of high-frequency vibrations greater than some cutoff frequency w, -affect the dynamics of a liquid butane model. For time steps At< 20 fs with a "natural"