76 citations · 203 across the 11 of their papers we have counts for
4 papers · 1 filter
Mathematical analysis and numerical methods for the computation of transport coefficients in molecular dynamics
Noe Blassel, Louis Carillo, Shiva Darshan +7
We review various numerical approaches to compute transport coefficients in molecular dynamics. These approaches can be broadly classified into three groups: (i) nonequilibrium met…
Accurate and efficient splitting methods for dissipative particle dynamics
Xiaocheng Shang
We study numerical methods for dissipative particle dynamics (DPD), which is a system of stochastic differential equations and a popular stochastic momentum-conserving thermostat f…
Structure-preserving integrators for dissipative systems based on reversible-irreversible splitting
Xiaocheng Shang, Hans Christian Öttinger
We study the optimal design of numerical integrators for dissipative systems, for which there exists an underlying thermodynamic structure known as GENERIC (general equation for th…
Adaptive Thermostats for Noisy Gradient Systems
Benedict Leimkuhler, Xiaocheng Shang
We study numerical methods for sampling probability measures in high dimension where the underlying model is only approximately identified with a gradient system. Extended stochast…