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A Family of Symplectic Integrators: Stability, Accuracy, and Molecular Dynamics Applications

✍ Scribed by Skeel, Robert D.; Zhang, Guihua; Schlick, Tamar


Book ID
118189563
Publisher
Society for Industrial and Applied Mathematics
Year
1997
Tongue
English
Weight
924 KB
Volume
18
Category
Article
ISSN
1064-8275

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πŸ“œ SIMILAR VOLUMES


Common Molecular Dynamics Algorithms Rev
✍ Alexy K. Mazur πŸ“‚ Article πŸ“… 1997 πŸ› Elsevier Science 🌐 English βš– 432 KB

tween the order of the finite difference equation and its analytical analog [2], to their time reversibility [2,9,10], The Sto Β¨rmer-Verlet-leapfrog group of integrators commonly used in molecular dynamics simulations has long become a text-to oscillating fundamental solutions [11] and to their sym

Design and Analysis of a Parallel Molecu
✍ Greg Eisenhauer; Karsten Schwan πŸ“‚ Article πŸ“… 1996 πŸ› Elsevier Science 🌐 English βš– 312 KB

to the one taken in MD. In particular, they describe the linked-cell method of distributing computation in molecular dynamics simulations. As in MD, the linkedcell method assigns particles to processors based on their location in three-dimensional cells (domains in MD) of size greater or equal to cu