𝔖 Bobbio Scriptorium
✦   LIBER   ✦

On the estimation and correction of discretization error in molecular dynamics averages

✍ Scribed by Nana Arizumi; Stephen D. Bond

Book ID
119192126
Publisher
Elsevier Science
Year
2012
Tongue
English
Weight
388 KB
Volume
62
Category
Article
ISSN
0168-9274

No coin nor oath required. For personal study only.

πŸ“œ SIMILAR VOLUMES

Estimation of the difference between mol
Estimation of the difference between molecular dynamics and monte carlo averages due to the truncation of the potential
✍ Mihaly Mezei πŸ“‚ Article πŸ“… 1980 πŸ› Elsevier Science 🌐 English βš– 208 KB

A particular discrepancy between hIonte Carlo and molecular dynamics calculations us& a truncated potential is analysed and an approwmate method for its estimate based on h ΒΆonte Carlo calculation is presented. Results are given for the