𝔖 Bobbio Scriptorium
✦   LIBER   ✦

Evaluation of Mori theory with a molecular dynamics simulation

✍ Scribed by M. W. Evans


Book ID
112508023
Publisher
Springer
Year
1980
Tongue
English
Weight
372 KB
Volume
39
Category
Article
ISSN
1434-6036

No coin nor oath required. For personal study only.


πŸ“œ SIMILAR VOLUMES


Evaluation of temperature in molecular d
✍ M. Amini; D. Fincham πŸ“‚ Article πŸ“… 1990 πŸ› Elsevier Science 🌐 English βš– 882 KB

Among several finite-difference algorithms which are used in MD simulation three popular ones are: the leapfrog, the Verlet and the Beeman. All three algorithms produce exactly the same particle trajectories, but they differ in terms of definition of the velocity and hence give different values of k

Hybrid Monte Carlo simulations theory an
✍ A. Brass; B. J. Pendleton; Y. Chen; B. Robson πŸ“‚ Article πŸ“… 1993 πŸ› Wiley (John Wiley & Sons) 🌐 English βš– 779 KB

## Abstract A formal partially dynamical approach to ergodic sampling, hybrid Monte Carlo, has been adapted for the first time from its proven application in quantum chromodynamics to realistic molecular systems. A series of simulations of pancreatic trypsin inhibitor were run using temperature‐res