50 citations · 268 across the 23 of their papers we have counts for
3 papers · 1 filter
Weighted ensemble: Recent mathematical developments
D. Aristoff, J. Copperman, G. Simpson +2
The weighted ensemble (WE) method, an enhanced sampling approach based on periodically replicating and pruning trajectories in a set of parallel simulations, has grown increasingly…
Full Configuration Interaction Excited-State Energies in Large Active Spaces from Subspace Iteration with Repeated Random Sparsification
Samuel M. Greene, Robert J. Webber, James E. T. Smith +2
We present a stable and systematically improvable quantum Monte Carlo (QMC) approach to calculating excited-state energies, which we implement using our fast randomized iteration m…
Improved Fast Randomized Iteration Approach to Full Configuration Interaction
Samuel M. Greene, Robert J. Webber, Jonathan Weare +1
We present three modifications to our recently introduced fast randomized iteration method for full configuration interaction (FCI-FRI) and investigate their effects on the method'…