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physics.comp-ph2011★ 15 cited
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…
physics.comp-ph2004★ 177 cited
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…