Nick S. Blunt
- Recent developments in the PySCF program package
2020/02/29 by Qiming Sun, Xing Zhang, Samragni Banerjee +56 · 1,189 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
- Quantum simulation of nanographenes and Trotter error cancellation
2026/05/01 by Andreas Juul Bay-Smidt, Nina Glaser, Marcel D. Fabian +3 · 1 voice
#quant-ph