𝔖 Bobbio Scriptorium
✦   LIBER   ✦

New integrator for molecular dynamics simulations

✍ Scribed by Z.M. Khakimov


Book ID
108314058
Publisher
Elsevier Science
Year
2002
Tongue
English
Weight
78 KB
Volume
147
Category
Article
ISSN
0010-4655

No coin nor oath required. For personal study only.


πŸ“œ SIMILAR VOLUMES


New approaches for molecular dynamics si
✍ Ramzi Kutteh πŸ“‚ Article πŸ“… 1999 πŸ› Elsevier Science 🌐 English βš– 560 KB

Three new algorithms are described for imposing nonholonomic constraints in molecular dynamics (MD) simulations, with any additional holonomic constraints. These approaches address the drawbacks of the commonly used Gaussian approach, which requires analytical expressions of the constraint forces an

Molecular dynamics simulations
✍ Tomas Hansson; Chris Oostenbrink; WilfredF van Gunsteren πŸ“‚ Article πŸ“… 2002 πŸ› Elsevier Science 🌐 English βš– 67 KB
Molecular dynamics simulations
✍ Bruce Tidor πŸ“‚ Article πŸ“… 1997 πŸ› Elsevier Science 🌐 English βš– 409 KB
Parallel visualization for molecular dyn
✍ J. Kitowski; K. Boryczko πŸ“‚ Article πŸ“… 1999 πŸ› Elsevier Science 🌐 English βš– 48 KB

Scientific visualization is an important aspect of numerically intensive computing. While a vast amount of simulation algorithms exists, visualization systems are still a field of scientific interest (e.g. [1,). Molecular dynamics algorithms (and others, like dissipative particle dynamics) while us