A metropolis adjusted Nosé-Hoover thermostat
- We present a Monte Carlo technique for sampling from the canonical distribution in molecular dynamics. The method is built upon the Nose-Hoover constant temperature formulation and the generalized hybrid Monte Carlo method. In contrast to standard hybrid Monte Carlo methods only the thermostat degree of freedom is stochastically resampled during a Monte Carlo step.
| Author details: | Benedict Leimkuhler, Sebastian ReichORCiDGND |
|---|---|
| URL: | http://www.edpsciences.org/journal/index.cfm?edpsname=m2an |
| DOI: | https://doi.org/10.1051/M2an/2009023 |
| ISSN: | 0764-583X |
| Publication type: | Article |
| Language: | English |
| Year of first publication: | 2009 |
| Publication year: | 2009 |
| Release date: | 2017/03/25 |
| Source: | ESAIM : mathematical modelling and numerical analysis. Modelisation mathematique et analyse numerique. - ISSN 0764-583X. - 43 (2009), 4, S. 743 - 755 |
| Organizational units: | Mathematisch-Naturwissenschaftliche Fakultät / Institut für Mathematik |
| Peer review: | Referiert |
