Discretization errors in molecular dynamics simulations with deterministic and stochastic thermostats (Q608837)
From MaRDI portal
scientific article
| Language | Label | Description | Also known as |
|---|---|---|---|
| English | Discretization errors in molecular dynamics simulations with deterministic and stochastic thermostats |
scientific article |
Statements
Discretization errors in molecular dynamics simulations with deterministic and stochastic thermostats (English)
0 references
26 November 2010
0 references
numerical integrator
0 references
configurational temperature
0 references
diffusion coefficient
0 references
Debye relaxation time
0 references
radial distribution function
0 references
Nosé-Hoover thermostat
0 references
Langevin thermostat
0 references
backward error analysis
0 references
Richardson extrapolation
0 references
