Francois Gygi

Professor of Applied Science and Computer Science

Research Focus:

Computational Materials Science, First-Principles Molecular Dynamics, Electronic structure theory, Parallel numerical algorithms.

Contact Information:

Web: Research Group Web Page
Office: 3013 Engineering III


M.Sc. Physics, Swiss Federal Institute of Technology (1983); Ph.D. Physics, Swiss Federal Institute of Technology (1988); Postdoctoral Researcher, AT&T Bell Laboratories, Murray Hill, NJ (1989-1990);
Postdoctoral Researcher, IBM Research Laboratory, Zurich, Switzerland (1991-1992); Senior Researcher, Swiss Federal Institute of Technology (1993-1998); Computer Scientist, Lawrence Livermore National Laboratory, Livermore, CA (1998-2005); Professor of Applied Science, University of California, Davis (2005-present).

Teaching and Instruction:

Numerical Methods for Scientists and Engineers, EAD115 (Winter)
Numerical Methods (EAD116)
Simulation and Modeling III (EAD117C)
High-performance computing (EAD118)
Computational Molecular Modeling (EAD229)
Numerical Methods (Graduate) (EAD210A)
Introduction to Programming and Problem Solving (ECS30A)

Research Interests:

My research interests include the development of accurate numerical simulation methods for applications in computational materials science, as well as computational physics and chemistry. I am involved in the development of algorithms for First-Principles Molecular Dynamics, a simulation method that combines a calculation of atomic trajectories with a quantum mechanical description of electronic properties. This method is widely used to explore the properties of solids, liquids, nanoparticles and biomolecules. First-principles simulations are computationally expensive and require the use of large parallel computers. The integration of efficient parallel numerical algorithms in simulation codes is an important part of our research.