Verena A Neufeld

9PUBLICATIONS
113CO-AUTHORS
Formal methods for softwareChemical thermodynamics and energeticsCondensed matter modelling and density functional theoryRadiation and matterComputational chemistry
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Publications (9)

|Sep 10, 2026
The Python simulations of chemistry framework: 10 years of an open-source quantum chemistry project.

|Oct 25, 2023
Accurate Quantum Chemical Reaction Energies for Lithium-Mediated Electrolyte Decomposition and Evaluation of Density Functional Approximations.

Sibali Debnath, Verena A Neufeld, Leif D Jacobson

|Aug 08, 2022
Ground-State Properties of Metallic Solids from Ab Initio Coupled-Cluster Theory.

Verena A Neufeld, Hong-Zhou Ye, Timothy C Berkelbach

|Jan 17, 2020
Accelerating Convergence in Fock Space Quantum Monte Carlo Methods.

Verena A Neufeld, Alex J W Thom

|Jan 26, 2019
The HANDE-QMC Project: Open-Source Stochastic Quantum Chemistry from the Ground State Up.

James S Spencer, Nick S Blunt, Seonghoon Choi

|Oct 26, 2018
Exciting Determinants in Quantum Monte Carlo: Loading the Dice with Fast, Low-Memory Weights.

Verena A Neufeld, Alex J W Thom

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Frequent Collaborators

4 joint publications

Francesco A Evangelista

3 joint publications

Alex J W Thom

3 joint publications

Maria-Andreea Filip

3 joint publications

Marie-Bernadette Lepetit