James E. T. Smith

1. Recent developments in the PySCF program package
   2020/02/29 by Qiming Sun, Xing Zhang, Samragni Banerjee +56 · 234 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. 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