| The HANDE-QMC project: open-source stochastic quantum chemistry from the ground state up JS Spencer, NS Blunt, S Choi, J Etrych, MA Filip, WMC Foulkes, ... Journal of chemical theory and computation 15 (3), 1728-1742, 2019 | 51 | 2019 |
| A study of the dense uniform electron gas with high orders of coupled cluster VA Neufeld, AJW Thom The Journal of Chemical Physics 147 (19), 2017 | 41 | 2017 |
| Exciting Determinants in Quantum Monte Carlo: Loading the Dice with Fast, Low-Memory Weights VA Neufeld, AJW Thom Journal of Chemical Theory and Computation 15 (1), 127-140, 2018 | 34 | 2018 |
| Ground-State Properties of Metallic Solids from Ab Initio Coupled-Cluster Theory VA Neufeld, HZ Ye, TC Berkelbach J. Phys. Chem. Lett. 13 (32), 7497-7503, 2022 | 22 | 2022 |
| Multi-scale electrolyte transport simulations for lithium ion batteries F Hanke, N Modrow, RLC Akkermans, I Korotkin, FC Mocanu, VA Neufeld, ... Journal of The Electrochemical Society 167 (1), 013522, 2019 | 22 | 2019 |
| Large scale parallelization in stochastic coupled cluster JS Spencer, VA Neufeld, WA Vigor, RST Franklin, AJW Thom The Journal of Chemical Physics 149 (20), 2018 | 20 | 2018 |
| Accelerating convergence in Fock space quantum Monte Carlo methods VA Neufeld, AJW Thom Journal of chemical theory and computation 16 (3), 1503-1510, 2020 | 13 | 2020 |
| Highly accurate electronic structure of metallic solids from coupled-cluster theory with nonperturbative triple excitations VA Neufeld, TC Berkelbach Physical Review Letters 131 (18), 186402, 2023 | 10 | 2023 |
| Accurate quantum chemical reaction energies for lithium-mediated electrolyte decomposition and evaluation of density functional approximations S Debnath, VA Neufeld, LD Jacobson, B Rudshteyn, JL Weber, ... The Journal of Physical Chemistry A 127 (44), 9178-9184, 2023 | 6 | 2023 |
| Making the most of data: Quantum Monte Carlo postanalysis revisited T Ichibha, VA Neufeld, K Hongo, R Maezono, AJW Thom Physical Review E 105 (4), 045313, 2022 | 1 | 2022 |
| Stochastic and low-scaling techniques: general discussion A Alavi, M Allen, K Atalar, TC Berkelbach, GH Booth, HGA Burton, ... Faraday Discussions 254, 451-499, 2024 | | 2024 |
| Correlation in extended systems: general discussion A Alavi, K Atalar, TC Berkelbach, GH Booth, GKL Chan, FA Evangelista, ... Faraday Discussions 254, 682-707, 2024 | | 2024 |
| Novel perturbative and variational methods for stronger correlations: general discussion V Abraham, K Atalar, KO Berard, GH Booth, HGA Burton, GKL Chan, ... Faraday Discussions 254, 191-215, 2024 | | 2024 |
| Research data and further information supporting" Accelerating Convergence in Fock Space Quantum Monte Carlo Methods" V Neufeld, AJW Thom | | 2021 |
| Representative trajectory data supporting" Multiscale Electrolyte Transport Simulations for Lithium Ion Batteries" F Hanke, N Modrow, RLC Akkermans, I Korotkin, FC Mocanu, VA Neufeld, ... | | 2020 |
| Accelerating and Converging Stochastic Quantum Chemistry VA Neufeld University of Cambridge, 2020 | | 2020 |
| Research Data supporting" Exciting determinants in Quantum Monte Carlo: Loading the dice with fast, low memory weights" VA Neufeld, AJW Thom | | 2019 |
| Research data and further information supporting" Large Scale Parallelization in Stochastic Coupled Cluster" JS Spencer, VA Neufeld, WA Vigor, RST Franklin, AJW Thom | | 2019 |
| Research Data and Further Information supporting" The HANDE-QMC project: open-source stochastic quantum chemistry from the ground state up" VA Neufeld, JS Spencer, NS Blunt, S Choi, J Etrych, MA Filip, ... | | 2019 |
| Research data and further information supporting" A study of the dense uniform electron gas with high orders of coupled cluster" VA Neufeld, AJ Thom | | 2018 |
Alex ThomAssociate Professor in Theoretical Chemistry, University of CambridgeVerified email at cam.ac.uk
