US-France Cooperative Research: Towards a Universal Water Force Field from VRT Spectra

University Of California-Berkeley, Berkeley CA

Investigators

Abstract

0003807 Saykally This three-year award for U.S.-France cooperative research in chemistry involves Richard J. Saykally of the University of California at Berkeley and Claude LeForestier at the Universite de Montpellier II in Montpellier, France. The objective of their collaboration is to construct and deliver an accurate and generally applicable force field for describing liquid and solid water. Experimental studies of water clusters by laser vibration rotation tunneling (VRT) infrared (IR) cavity will be conducted by the Berkeley group. The Montpellier group will focus on theoretical descriptions of water dimer and trimer spectra. The US group brings to this collaboration experimental capabilities in terahertz VRT and IR spectroscopy. This is complemented by French theoretical expertise in Wigner pseudospectral method and vibrational predissociation. This award represents the US side of a joint proposal to NSF and the French National Center for Scientific Research (CNRS). NSF will cover travel funds and living expenses for the US investigator and graduate students. The CNRS will support the visits of French researchers to the United States. The collaboration addresses an important scientific question - the accurate determination of water's intermolecular potential. The project will advance fundamental understanding of the water force field.