5 citations · 10 across the 5 of their papers we have counts for
5 papers
Reducing Weighted Ensemble Variance With Optimal Trajectory Management
Won Hee Ryu, John D. Russo, Mats S. Johnson +7
Weighted ensemble (WE) is an enhanced path-sampling method that is conceptually simple, widely applicable, and statistically exact. In a WE simulation, an ensemble of trajectories…
Metastability in the stochastic nearest-neighbor Kuramoto model of coupled phase oscillators
Nils Berglund, Georgi S. Medvedev, Gideon Simpson
The Kuramoto model (KM) of coupled phase-oscillators is analyzed in this work. The KM on a Cayley graph possesses a family of steady state solutions called twisted states. Topo…
The fast committor machine: Interpretable prediction with kernels
D. Aristoff, M. Johnson, G. Simpson +1
In the study of stochastic systems, the committor function describes the probability that a system starting from an initial configuration will reach a set before a set .…
RiteWeight: Randomized Iterative Trajectory Reweighting for Steady-State Distributions Without Discretization Error
Sagar Kania, Robert J. Webber, Gideon Simpson +2
A significant challenge in molecular dynamics (MD) simulations is ensuring that sampled configurations converge to the equilibrium or nonequilibrium stationary distribution of inte…
Analysis of estimators for adaptive Kinetic Monte Carlo
D. Aristoff, S. Chill, G. Simpson
Adaptive Kinetic Monte Carlo combines the simplicity of Kinetic Monte Carlo (KMC) with a Molecular Dynamics (MD) based saddle point search algorithm in order to simulate metastable…