The Chemical Physics Program of the Chemical Science Division of LBNL is concerned with the development of both experimental and theoretical methodologies for studying molecular structure and dynamical processes at the most fundamental level, and with the application of these to specific problems of interest to DOE (e.g., modeling combustion and atmospheric chemistry). The seven principal investigators comprise three theoretical research groups (Martin Head-Gordon, William A. Lester, and William H. Miller) and four (predominantly) experimental ones (Stephen R. Leone, Charles B. Harris, Harold Johnston, and Daniel M. Neumark).

A major component of the Chemical Physics program is support of the Chemical Dynamics Beamline at the Advanced Light Source (ALS), a national user facility at LBNL. It is devoted to the study of fundamental chemical processes using lasers and vacuum ultraviolet light generated by an undulator at the ALS synchrotron. A variety of molecular beam chambers, radical sources, photodissociation lasers, imaging detectors, coincidence electronics, etc., are available for fundamental studies related to processes in combustion, atmospheric, and interstellar chemistry. Other (in-house) experimental programs focus on using negative ions as precursors to study unstable and/or highly reactive molecular species, and femtosecond lasers to study the properties of electrons on surfaces and at interfaces.

Theoretical research deals with the electronic structure of molecules ("quantum chemistry"), exploring new ways of solving the electronic Schrödinger equation and applying these to determine the potential energy surfaces which govern the motion of the nuclei. This latter dynamics, which describes chemical reactions, photodissociation, etc., can also be treated fully quantum mechanically for small molecular systems, and for larger molecular ensembles classical and semiclassical methods are being developed and applied.

Principal Investigators

Musahid Ahmed
CSD Staff Scientist, Chemical Physics Program/Chemical Dynamics Beamline
Publications

David Chandler
Professor of Chemistry, UC Berkeley, CSD Senior Faculty Scientist, Chemical Physics Program

Phillip L. Geissler
Assistant Professor of Chemistry, UC Berkeley; CSD Faculty Scientist, Chemical Physics Program

Charles B. Harris
Professor of Chemistry, UC Berkeley; CSD Senior Faculty Scientist, Chemical Physics Program
Publications

Martin Head-Gordon
Professor of Chemistry, UC Berkeley; CSD Senior Faculty Scientist, Chemical Physics Program
Projects
Publications

Harold S. Johnston
Professor of Chemistry, Emeritus, UC Berkeley; CSD Senior Faculty Scientist, Chemical Physics Program

Stephen R. Leone
Professor of Chemistry, UC Berkeley; CSD Senior Faculty Scientist, Chemical Dynamics Beamline Director, Chemical Physics Program
Publications

William A. Lester, Jr.
Professor of Chemistry, UC Berkeley; CSD Senior Faculty Scientist, Chemical Physics Program
Publications

William H. Miller
Professor of Chemistry, UC Berkeley; CSD Senior Faculty Scientist, Chemical Physics Program Leader
Publications

Daniel M. Neumark
Professor of Chemistry, UC Berkeley; CSD Director and Senior Faculty Scientist, Chemical Physics Program
Publications

Staff Scientists

Kevin R. Wilson
CSD Staff Scientist, Chemical Physics Program/Chemical Dynamics Beamline