250 citations · 626 across the 10 of their papers we have counts for
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physics.comp-ph2018★ 8 cited
MIST: A Simple and Efficient Molecular Dynamics Abstraction Library for Integrator Development
Iain Bethune, Ralf Banisch, Elena Breitmoser +6
We present MIST, the Molecular Integration Simulation Toolkit, a lightweight and efficient software library written in C++ which provides an abstract in- terface to common molecula…
physics.comp-ph2013★ 250 cited
Robust and efficient configurational molecular sampling via Langevin Dynamics
Benedict Leimkuhler, Charles Matthews
A wide variety of numerical methods are evaluated and compared for solving the stochastic differential equations encountered in molecular dynamics. The methods are based on the app…