A thermostat of the Nose-Hoover type, based on relative velocities and a local definition of the temperature, is presented. The thermostat is momentum-conserving and Galilean-invariant, which should make it suitable for use in Dissipative Particle Dynamics (DPD) simulations, as well as nonequilibrium molecular dynamics simulations
We propose a thermodynamically consistent and energy-conserving temperature coupling scheme between ...
The quantum nature of matter not only results in exotic proper-ties of strongly correlated condensed...
AbstractWe review and compare numerical methods that simultaneously control temperature while preser...
We discuss dissipative particle dynamics as a thermostat to molecular dynamics, and highlight some o...
A new configurational temperature thermostat suitable for molecules with holonomic constraints is de...
The numerical investigation of the statics and dynamics of systems in non-equilibrium in general, an...
AbstractWe examine the formulation and numerical treatment of dissipative particle dynamics (DPD) an...
In this work, we employ a Hamiltonian-based procedure to derive a generalized Nose-Hoover thermostat...
The delta f simulation method is revisited. Statistical coarse-graining is used to rigorously derive...
Thermostats are dynamical equations used to model thermodynamic variables such as temperature and pr...
We describe a simulation method based on combining the ideas behind Andersen's thermostat and dissip...
A new method of thermostatting non-equilibrium molecular dynamics (NEMD) simulations is described. T...
In this article we present a new thermostat - theory and simulation results - obtained by combining ...
We propose a thermodynamically consistent and energy conserving coupling scheme between the atomisti...
The algorithm for the dissipative particle dynamics (DPD) fluid, the dynamics of which is conceptual...
We propose a thermodynamically consistent and energy-conserving temperature coupling scheme between ...
The quantum nature of matter not only results in exotic proper-ties of strongly correlated condensed...
AbstractWe review and compare numerical methods that simultaneously control temperature while preser...
We discuss dissipative particle dynamics as a thermostat to molecular dynamics, and highlight some o...
A new configurational temperature thermostat suitable for molecules with holonomic constraints is de...
The numerical investigation of the statics and dynamics of systems in non-equilibrium in general, an...
AbstractWe examine the formulation and numerical treatment of dissipative particle dynamics (DPD) an...
In this work, we employ a Hamiltonian-based procedure to derive a generalized Nose-Hoover thermostat...
The delta f simulation method is revisited. Statistical coarse-graining is used to rigorously derive...
Thermostats are dynamical equations used to model thermodynamic variables such as temperature and pr...
We describe a simulation method based on combining the ideas behind Andersen's thermostat and dissip...
A new method of thermostatting non-equilibrium molecular dynamics (NEMD) simulations is described. T...
In this article we present a new thermostat - theory and simulation results - obtained by combining ...
We propose a thermodynamically consistent and energy conserving coupling scheme between the atomisti...
The algorithm for the dissipative particle dynamics (DPD) fluid, the dynamics of which is conceptual...
We propose a thermodynamically consistent and energy-conserving temperature coupling scheme between ...
The quantum nature of matter not only results in exotic proper-ties of strongly correlated condensed...
AbstractWe review and compare numerical methods that simultaneously control temperature while preser...