Chancellor’s Professor, Department of Chemistry;
Professor, Departments of Bioengineering, Chemical & Biomolecular Engineering
Mailcode 1762
510-666-2744
thg@berkeley.edu
For more information, see: https://thglab.berkeley.edu/
Research Interests
The simultaneous revolutions in energy, molecular biology, nanotechnology and advanced scientific computing, is giving rise to new interdisciplinary research opportunities in computational science. The Head-Gordon lab embraces this large scope of science drivers through development of computational models and methodologies applied to molecular liquids, macromolecular assemblies, protein biophysics, and homogeneous, heterogeneous catalysis and biocatalysis. The development and application of complex chemistry models, accelerated sampling methods, coarse graining/multiscale techniques, and machine learning developed in her lab are widely disseminated through many community software codes that scale on high performance computing platforms.
Education
- 1984-1989 Ph.D., Carnegie Mellon University, Pittsburgh, PA, Theoretical Chemistry
- 1979-1983 B.S., Case Western Reserve University, Cleveland, OH, Chemistry
Major Awards
- 2018 Fellow, American Chemical Society
- 2018 Fellow, ReSolv German Center of Excellence, Bochum
- 2016 Fellow, American Institute of Medical and Biomedical Engineers
- 2011-present Editorial Advisory Board Member, Theoretical Chemistry Accounts
- 2009-2010 Li Ka Shing Foundation Women in Science Research Award
- 2009 Keynote Speaker. MM2009, Surfers Paradise, Queensland Australia
- 2009 MasterWorks Talk, Supercomputing 2009, Portland, Oregon
- 2009-2011 Editorial Advisory Board Member, Journal of Physical Chemistry
- 2007 Keynote Speaker. Maria Goeppert-Mayer Symposium, San Diego, California
- 2007 Plenary Lecture. International Workshop on Molecular Structure and Dynamics of Interfacial Water, Shanghai, China
- 2006 – present Clare Hall Faculty, UK
- 2005-2006 Schlumberger Medal and Sabbatical Fellow at Cambridge University
- 2004-2008 Editorial Board Member for the SIAM book series on Computational Science and Engineering
- 2003-2006 Editor, Biophysical Journal
- 2003-present Editorial Advisory Board Member, Journal of Computational Chemistry
- 2001 IBM-SUR Award for Research in Computational Biology
Professional Experience
- 2016-present Co-Director, MolSSI: Molecular Sciences Software Institute, NSF National Center
- 2016-present Co-Director, CalSolv: Solvation at UC Berkeley
- 2012-present Member of the Pitzer Center for Theoretical Chemistry
- 2012-present Faculty Scientist, Chemical Sciences Division, Lawrence Berkeley National Laboratory
- 2012-present Chancellor’s Professor, Department of Chemistry, UC Berkeley
- 2011-present Professor, Department of Chemical & Biomolecular Engineering, UC Berkeley
- 2007-present Professor, Department of Bioengineering, UC Berkeley
- 2004-2007 Associate Professor, Department of Bioengineering, University of California, Berkeley
- 2001-present Faculty affiliate of QB3 Institute
- 2001-present Department Head of Computational Structure Group, Physical Biosciences, LBNL
- 2001-present Member of Applied Sciences and Technology Group, University of California, Berkeley
- 2001-present Member of Bioengineering Graduate Group, University of California, Berkeley
- 2001-present Member of Biophysics Graduate Group, University of California, Berkeley
- 2001-2004 Assistant Professor, Department of Bioengineering, University of California, Berkeley
- 2001-present, Faculty Scientist, Physical Biosciences Division, Lawrence Berkeley National Laboratory
- 2000 Senior Staff Scientist, Lawrence Berkeley National Laboratory
- 1992-2000 Staff Scientist, Lawrence Berkeley National Laboratory
- 1990-1992 AT& T Bell Laboratories, Murray Hill, New Jersey, Postdoc