42 citations · 71 across the 4 of their papers we have counts for
4 papers
Human learning for molecular simulations: the Collective Variables Dashboard in VMD
Jérôme Hénin, Laura J. S. Lopes, Giacomo Fiorin
The Collective Variables Dashboard is a software tool for real-time, seamless exploration of molecular structures and trajectories in a customizable space of collective variables.…
Bringing discrete-time Langevin splitting methods into agreement with thermodynamics
Joshua Finkelstein, Chungho Cheng, Giacomo Fiorin +2
In light of the recently published complete set of statistically correct Gronbech-Jensen (GJ) methods for discrete-time thermodynamics, we revise a differential operator splitting…
The Challenge of Stochastic Størmer-Verlet Thermostats Generating Correct Statistics
Joshua Finkelstein, Chungho Cheng, Giacomo Fiorin +2
In light of the recently developed complete GJ set of single random variable stochastic, discrete-time Størmer-Verlet algorithms for statistically accurate simulations of Langevin…
Comparison of Modern Langevin Integrators for Simulations of Coarse-Grained Polymer Melts
Joshua Finkelstein, Giacomo Fiorin, Benjamin Seibold
For a wide range of phenomena, current computational ability does not always allow for fully atomistic simulations of high-dimensional molecular systems to reach time scales of int…