8 citations · 10 across the 5 of their papers we have counts for
6 papers
Selected Stabilizer Subspaces for Compact Many-Body Wave Functions
Maria-Andreea Filip, George H. Booth
Selected configuration interaction (SCI) obtains accurate many-body solutions by variationally diagonalising the Hamiltonian in a sparse, iteratively selected set of configurations…
Low-rank compression of two-electron reduced density matrices
Kemal Atalar, Hugh G. A. Burton, Andreas Grüneis +1
Two-body reduced density matrices (2RDMs) encode the essential two-electron physics of electronic states, but their quartic storage cost poses a major limitation in practical workf…
Bayesian perspectives for quantum states and application to ab initio quantum chemistry
Yannic Rath, Massimo Bortone, George H. Booth
The quantum many-electron problem is not just at the heart of condensed matter phenomena, but also essential for first-principles simulation of chemical phenomena. Strong correlati…
Simple Fermionic backflow states via a systematically improvable tensor decomposition
Massimo Bortone, Yannic Rath, George H. Booth
We present an effective ansatz for the wave function of correlated electrons that brings closer the fields of machine learning parameterizations and tensor rank decompositions. We…
Fast and accurate nonadiabatic molecular dynamics enabled through variational interpolation of correlated electron wavefunctions
Kemal Atalar, Yannic Rath, Rachel Crespo-Otero +1
We build on the concept of eigenvector continuation to develop an efficient multi-state method for the rigorous and smooth interpolation of a small training set of many-body wavefu…
Interpolating many-body wave functions for accelerated molecular dynamics on the near-exact electronic surface
Yannic Rath, George H. Booth
While there have been many developments in computational probes of both strongly-correlated molecular systems and machine-learning accelerated molecular dynamics, there remains a s…