50 citations · 268 across the 23 of their papers we have counts for
4 papers · 1 filter
Understanding and eliminating spurious modes in variational Monte Carlo using collective variables
Huan Zhang, Robert J. Webber, Michael Lindsey +2
The use of neural network parametrizations to represent the ground state in variational Monte Carlo (VMC) calculations has generated intense interest in recent years. However, as w…
Randomly pivoted Cholesky: Practical approximation of a kernel matrix with few entry evaluations
Yifan Chen, Ethan N. Epperly, Joel A. Tropp +1
The randomly pivoted partial Cholesky algorithm (RPCholesky) computes a factorized rank-k approximation of an N x N positive-semidefinite (psd) matrix. RPCholesky requires only (k…
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…