Verena Neufeld
Senior Quantum Solutions Computational Chemist
United States
Summary
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Rockstar🎓
Top SchoolVerena Neufeld is a Senior Quantum Solutions Computational Chemist with a decade of experience applying stochastic quantum chemistry and Monte Carlo methods to materials problems, now working at PsiQuantum after postdoctoral roles at Caltech and Columbia. She combines deep theoretical training from a Cambridge PhD with practical software engineering—contributing backend testing improvements to the widely used PySCF library and developing HANDE QMC tools—to make high-accuracy simulations more reliable. Her work focuses on exploiting sparsity in wavefunctions to scale correlated electronic-structure methods for solids, a niche that bridges method development and production-ready code. Comfortable mentoring and teaching, she has supervised students whose results reached publication and has authored multiple peer-reviewed papers. An under-the-radar strength is her habit of improving test frameworks and robustness in community codes, ensuring research advances are reproducible and maintainable.
10 years of coding experience
5 years of employment as a software developer
Doctor of Philosophy - PhD, Stochastic Quantum Chemistry, No Corrections (Unusual, Top Outcome (excl. prices)), Doctor of Philosophy - PhD, Stochastic Quantum Chemistry, No Corrections (Unusual, Top Outcome (excl. prices)) at University of Cambridge
Greek, Latin, English, German
Github Skills (4)
quantum-chemistry10
unit-testing10
python10
numpy8
Programming languages (3)
Github contributions (5)
pyscf/pyscf
Oct 2020 - Jan 2023
Python module for quantum chemistry
Role in this project:
Back-end Developer
Back-end DeveloperContributions:34 reviews, 18 commits, 15 PRs in 2 years 2 months
Contributions summary:Verena primarily focused on enhancing the testing framework within the project. They implemented and refined tests for the KMP2 module, specifically addressing scenarios where the number of occupied orbitals at different k-points might vary. Further contributions include responding to review feedback through code cleanup and merging branches. Their work ensures the accuracy and robustness of the quantum chemistry calculations implemented in the library.
pythonchemistryquantum-computingpython-modulequantum-chemistry
verena-neufeld/pyscf
Mar 2021 - Jan 2025
Python module for quantum chemistry
Contributions:28 pushes, 30 branches in 3 years 10 months
pythonchemistryquantum-computingpython-modulequantum-chemistry
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