Daniel Crawford

Daniel Crawford is a University Distinguished Professor and Ethyl Chair of Chemistry at Virginia Tech's College of Science, Department of Chemistry. He serves as Director of The Molecular Sciences Software Institute (MolSSI) and Deputy Editor of the Journal of Physical Chemistry A. His academic background includes a B.S. from Duke University (1992), Ph.D. from University of Georgia (1996), and postdoctoral research at University of Texas (1996-2000).

His research focuses on developing advanced quantum chemical methods, particularly many-body techniques like coupled cluster theory and perturbation theory. Key areas include:

• Computational approaches for chiroptical properties (optical rotation, circular dichroism)
• Reduced-scaling methods for excited states and response properties
• Photochemical reactions of radical species
• High-performance computing implementations
• Development of the PSI4 quantum chemistry software suite

His recent publications demonstrate consistent focus on methodological advancements in coupled cluster theory, spectroscopic simulation techniques, and computational software infrastructure, with emerging interests in machine learning applications and FAIR data principles.

Honors and Awards:

• Cottrell STAR Award (2023)
• Fellow of the American Chemical Society (2015)
• 2024 SCHEV Outstanding Faculty Award
• Dirac Medal, WATOC (2010)
• NSF CAREER Award (2002)
• Dreyfus New Faculty Award (2000)
• Multiple teaching awards including Jimmy Viers Teaching Award and VT Teaching Excellence

He leads the Crawford research group and directs the Molecular Sciences Software Institute, which develops sustainable software infrastructure for the computational molecular sciences community.