Jan Hermann

1. Recent developments in the PySCF program package
   2020/02/29 by Qiming Sun, Xing Zhang, Samragni Banerjee +56 · 236 citations
   Chemical Engineering · Chemistry · Engineering · Materials Science · Physics and Astronomy · #Advanced Chemical Physics Studies #Catalysis and Oxidation Reactions #Chemistry #Computational science #Computer science #Database #Engineering #Machine Learning in Materials Science #Molecule #Programming language #Python (programming language) #Quantum chemistry #Software engineering #Supramolecular chemistry #Systems engineering #Workflow #physics.chem-ph #physics.comp-ph
2. Roadmap on Advancements of the FHI-aims Software Package
   2026/06/22 by Joseph W. Abbott, Carlos Mera Acosta, Alaa Akkoush +97 · 1 voice
   Materials Science · Physics and Astronomy · Chemistry · #Machine Learning in Materials Science #Advanced Chemical Physics Studies #Advanced Physical and Chemical Molecular Interactions
3. The Python Simulations of Chemistry Framework: 10 years of an open-source quantum chemistry project
   2026/03/14 by Qiming Sun, Matthew R Hermes, Xiaojie Wu +100 · 1 voice · 1 citation
   Physics and Astronomy · #physics.chem-ph #cond-mat.mtrl-sci #quant-ph