Chancellor’s Professor, Department of Chemistry; Professor, Department of Bioengineering; Professor, Department of Chemical and Biomolecular Engineering; Faculty Staff Scientist, Lawrence Berkeley National Laboratory
UC Berkeley
Berkeley, CA 94720
Subject areas:
Research
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.