The Pitzer Center for Theoretical Chemistry at the University of California Berkeley contains state-of-the-art computer resources that serve the needs of the 7 theory groups. These are typically Linux or Unix clusters that consist of between 30 and 70 processors. A survey of the groups in summer 2004 showed that in aggregate, we have well over 500 processors in total.

Most of the theory groups also have access to supercomputer centers, including the NSF centers at San Diego and Illinois. The main supercomputer use is undoubtedly at the National Energy Research Scientific Computing Center (NERSC) and of the Department of Chemistry
Graphics Center, which provides standard software packages, large format printers, and additional computer resources. Areas of study include:

  • Molecular simulations and multi-scale modeling of  catalysts, soft-condensed matter, biological membranes, clays
  • Quantum mechanics of clusters and nanomaterials,
  • Chemical Physics and quantum and semiclassical theory of chemical reaction dynamics; molecular collision theory
  • Electronic structure
  • Statistical mechanics of complex materials and novel theories and algorithms

The Center for Isotope Geochemistry (CIG) is a joint-institution research center, with labs both at Lawrence Berkeley National Laboratory and the University of Caifornia Berkeley. This state-of-the-art analytical facility was established in 1988 to measure the concentrations and isotopic compositions of elements in rocks, minerals, and fluids in the earth’s crust, atmosphere, and oceans

The Center for Isotope Geochemistry

The Chemical Dynamics Beamline at Lawrence Berkeley National Laboratory's Advanced Light Source is devoted to the study of fundamental chemical processes using vacuum ultraviolet light generated by an undulator at the ALS. The photon light is tunable between 7.4 eV and 30 eV.  The beamline is operated and maintained by a group of staff scientists, post-doctoral fellows, and graduate students. Outside users collaborate with the beamline staff to perform studies of fundamental chemical interactions, combustion, interstellar and environmental chemistry, and materials. The scope of research includes all areas of chemical physics. New directions in microscopies, aerosol science, kinetics, structure, and dynamics of gas phase, cluster studies, among others, are encouraged.

The University of California BerkeleyCatalysis Center has award winning faculty working in all areas of catalysts design including homogenous and heterogenous catalysis, solid-state and imprinted catalysts, structure-function and theoretical studies, and novel catalyst design. The Center has a tradition of industry support from companies such as BP, Catalytica Inc., Dow Chemical Company, ExxonMobil Corp., Nippon Mitsubishi Oil Co. and Toyota, Corp.

The Berkeley Center for Green Chemistry (BCGC) at the University of California Berkeley is building a novel academic program to advance green chemistry through interdisciplinary scholarship. It consists of faculty, researchers, and students in the College of Chemistry, School of Public Health, College of Engineering, College of Natural Resources, the Berkeley School of Law, and the Haas School of Business. Research goals of the Center are to develop novel chemical processes and materials, informed by the principles of green chemistry and the priorities of the environmental health sciences; to investigate new approaches to anticipatory toxicity testing, exposure analysis, and alternatives assessment to aid in the prioritization of chemical hazards and the identification of safer alternatives.