Scholar
Jan Hermann
Google Scholar ID: 5TjVq0YAAAAJ
Microsoft Research AI for Science
electronic structure
machine learning
chemistry
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Citations & Impact
All-time
Citations
4,559
H-index
17
i10-index
23
Publications
20
Co-authors
65
list available
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Publications
2 items
An ab initio foundation model of wavefunctions that accurately describes chemical bond breaking
2025
Cited
0
Accurate and scalable exchange-correlation with deep learning
2025
Cited
0
Resume (English only)
Academic Achievements
Published numerous high-impact papers in journals such as Nature Chemistry, Nature Communications, and Journal of Chemical Physics
Seminal work: Deep-neural-network solution of the electronic Schrödinger equation (Nat. Chem. 2020, cited 712 times)
Co-developed DeepQMC, an open-source suite for variational optimization of deep-learning molecular wave functions (J. Chem. Phys. 2023)
Contributed to highly accurate neural network models for real-space electron densities (J. Chem. Phys. 2025)
Proposed a variational principle to regularize machine-learned density functionals (J. Chem. Phys. 2023)
Developed libMBD, a general-purpose package for scalable quantum many-body dispersion calculations (J. Chem. Phys. 2023)
Active in frontier research on machine learning in electronic structure, van der Waals interactions, and excited states
Co-authors
65 total
Alexandre Tkatchenko
Professor of Physics, University of Luxembourg; Visiting Professor, TU Berlin; APS Fellow; FRSC
Noe Frank
Microsoft Research
Zeno Schätzle
PhD student, FU Berlin
Co-author 4
Co-author 5
Péter Bernát Szabó
Graduate student, Microsoft Research, FU Berlin
Antonio Mezzacapo
IBM Quantum
Co-author 8
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