Verena Neufeld

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Alex ThomUniversity Lecturer in Theoretical Chemistry, University of CambridgeVerified email at cam.ac.uk
James SpencerDeepMindVerified email at google.com
Fionn D MaloneGoogleVerified email at google.com
James J. ShepherdUniversity of IowaVerified email at uiowa.edu
W. M. C. FoulkesImperial College LondonVerified email at imperial.ac.uk
Maria-Andreea FilipResearch Fellow, University of CambridgeVerified email at cam.ac.uk
Charles J. C. ScottPostdoctoral Associate, King's College LondonVerified email at kcl.ac.uk
Nick BluntRiverlaneVerified email at cam.ac.uk
Roberto Di RemigioEuroCC National Competence Centre SwedenVerified email at it.uu.se
Seonghoon ChoiUniversity of TorontoVerified email at utoronto.ca
Timothy BerkelbachColumbia UniversityVerified email at columbia.edu
Felix HankeBIOVIA - Dassault SystèmesVerified email at accelrys.com
Max VeitPostdoc, Aalto UniversityVerified email at aalto.fi
Reinier AkkermansDassault Systèmes, BIOVIAVerified email at 3ds.com
Felix Cosmin MocanuDepartment of Materials, University of OxfordVerified email at materials.ox.ac.uk
Ivan KorotkinUniversity of SouthamptonVerified email at soton.ac.uk
Hong-Zhou YeDepartment of Chemistry, Columbia UniversityVerified email at columbia.edu
Kenta HongoAssociate Professor at Research Center for Advanced Computing Infrastructure, JAISTVerified email at jaist.ac.jp
Ryo MaezonoJapan Advanced Institute of Science and Technology (JAIST)Verified email at jaist.ac.jp
Tom IchibhaPostdoc Associate, Oak Ridge National LaboratoryVerified email at ornl.gov

Verena Neufeld

Postdoc at Caltech

Verified email at caltech.edu

Quantum Chemistry Materials Monte Carlo Statistics Method Developing


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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	45	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	35	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	32	2018
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	19	2018
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	18	2019
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	9	2022
Accelerating convergence in Fock space quantum Monte Carlo methods VA Neufeld, AJW Thom Journal of chemical theory and computation 16 (3), 1503-1510, 2020	9	2020
Highly accurate electronic structure of metallic solids from coupled-cluster theory with nonperturbative triple excitations VA Neufeld, TC Berkelbach arXiv preprint arXiv:2303.11270, 2023	1	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
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, ...		2023
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

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