… By doing this, our simulations reproduce a transient non-equilibrium condition and for
this reason we call this procedure transient non-equilibrium molecular dynamics simulation (…

… OUf use of the term "nonequilibrium growth" in this paper … the growing crystal-thus "nonequilibrium"
growth in this context refers … We emphasize that currently fashionable nonequilibrium …

… and analyze the nonequilibrium characteristics of such cases still remains a challenging
issue. Here we simulate a RR process and study its nonequilibrium effects via the present model…

… , the effects of NTC are to widen the non-equilibrium regions and reduce the amplitude of the
non-equilibrium effects in … In Section 4, we simulate four kinds of detonations with different …

… of such approaches to non-equilibrium problems, including … to the outer part of the simulated
fragment of the entire system … physical behaviour of the simulated system can be obtained …

… -grained simulation frameworks must be developed to simulate these dynamical processes.
… efficient simulation of coarse-grained active biopolymer systems using lattice kinetic Monte-…

… Using steered molecular dynamics simulations, our study demonstrates that mutations to
peptides … simulations can be used in the overall design strategy of TCRs for immunotherapies. …

… kinetic equation to simulate the basic features of the biological systems related to local
nonequilibrium … through the distribution function for the nonequilibrium open system supports this …

… The improved performance observed for the Langmuir–Knudsen evaporation models (M7
and M8) raises the question of how significant thermodynamic non-equilibrium effects are for …

The kinetic models involving rotational and vibrational degrees of freedom are constructed
to analyze the thermodynamic non-equilibrium effect of polyatomic gases, in which the …