Professor of Applied Science and Computer Science
Computational Materials Science, First-Principles Molecular Dynamics, Electronic structure theory, Parallel numerical algorithms.
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)
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.