C. David Sherrill
- P SI4 1.4: Open-source software for high-throughput quantum chemistry
2020/05/13 by Daniel G. A. Smith, Lori A. Burns, Andrew C. Simmonett +32 · 27 citations
Chemical Engineering · Physics and Astronomy · #Advanced Chemical Physics Studies #Catalysis and Oxidation Reactions #Spectroscopy and Quantum Chemical Studies
- QCManyBody: A flexible implementation of the many-body expansion
2024/10/15 by Lori A. Burns, C. David Sherrill, Benjamin P. Pritchard · 1 voice · 1 citation
Materials Science · Physics and Astronomy · Biochemistry, Genetics and Molecular Biology · #Machine Learning in Materials Science #Advanced Chemical Physics Studies #Protein Structure and Dynamics