177 citations · 206 across the 9 of their papers we have counts for
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Temperature expressions and ergodicity of the Nosé-Hoover deterministic schemes
A. Samoletov, B. Vasiev
Thermostats are dynamic equations used to model thermodynamic variables in molecular dynamics. The applicability of thermostats is based on the ergodic hypothesis. The most commonl…
Notes on configurational thermostat schemes
A. A. Samoletov, C. P. Dettmann, M. A. J. Chaplain
We have linked together two contributions in the development of configurational thermostats, the BT thermostat and the SDC scheme. We have shown that recently proposed configuratio…
Thermostats for "slow" configurational modes
A. A. Samoletov, C. P. Dettmann, M. A. J. Chaplain
Thermostats are dynamical equations used to model thermodynamic variables such as temperature and pressure in molecular simulations. For computationally intensive problems such as…