29 citations · 246 across the 34 of their papers we have counts for
3 papers · 1 filter
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 .…
Democratizing Uncertainty Quantification
Linus Seelinger, Anne Reinarz, Mikkel B. Lykkegaard +22
Uncertainty Quantification (UQ) is vital to safety-critical model-based analyses, but the widespread adoption of sophisticated UQ methods is limited by technical complexity. In thi…
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…