… DSMC is a stochastic method, and it is well suited for simulations of high-speed rarefied gas
… DVM is a deterministic method that can simulate fluid flows from the free molecular regime …

… equation approach and the modern DSMC (Direct Simulation Monte Carlo) method have
revealed … Non-equilibrium effects in the boundary layer are mainly due to the combined effect of …

… we use nonequilibrium molecular dynamics simulations to test … of the recently developed
multicomponent nonequilibrium self-… -time window, the simulations confirm the general trends …

… kinetic simulations and build the kinetic barrier diagram following the same procedure as in
Section 2 using the steady state concentrations [M] and [M*] obtained from the simulations as …

… non-equilibrium effects. Moreover, this model is employed to study the dynamic process
of the unsteady non-equilibrium … by using non-equilibrium manifestations. In addition, the …

… kinetic flow description including the adsorption probability. The proposed model was applied
for the first time to simulate … improved and used for the simulation of the gas flow between …

Interfacial transport and mixing are nonequilibrium processes coupling kinetic to meso-and …
requires an improved understanding of the nonequilibrium dynamics, interfacial transport, …

… ligand unbinding kinetics. Correlating simulations with experimental data from SPR kinetics
… Hsp90, we show that the mean nonequilibrium work computed in an ensemble of trajectories …

… non-equilibrium molecular dynamics simulations. In all cases, we verified that thermodynamic
variables obeyed normal thermodynamic relations, with an accuracy better than 5%. The …

… nonexponential kinetics for the duration of the reaction. These situations require full simulation
… abandon this approach and proceed to simulate the evolution of the reactant population. …