Peter J. Rossky


Born April 15, 1950 in Philadelphia, Pennsylvania, USA

Harry C. and Olga K. Wiess Chair in Natural Sciences; Professor of Chemistry and of Chemical and Biomolecular Engineering; Rice University

Hirschfelder Prize in Theoretical Chemistry; Member, U.S. National Academy of Sciences; American Chemical Society Hildebrand Award in the Chemistry of Liquids; ACS Physical Division Award in Theoretical Chemistry; Fellow of the American Association for the Advancement of Science; Fellow of the American Academy of Arts & Sciences; John Simon Guggenheim Memorial Foundation Fellow; Fellow of the American Physical Society; NSF Presidential Young Investigator Award; Dreyfus Foundation Teacher-Scholar Award; Alfred P. Sloan Foundation Fellow.

Author of:

Approximately 300 papers in theoretical chemistry, physical chemistry, and materials chemistry.

Important Contributions:

  • Algorithms for simulation of nuclear quantum effects on liquid structure and molecular dynamics in finite temperature condensed phases, with applications primarily to liquids and water, in particular; quantum simulation of excess electron solvation and spectroscopy in polar liquids, and water in particular; algorithms and implementations for simulating electronic spectroscopy in finite temperature solutions, with extensions to molecular clusters, interfaces, and complex solutes; quantum simulation of ultrafast transient spectroscopy and interpretation of corresponding experiments; quantitative description of quantum decoherence in realistic simulations of excited state molecular dynamics in condensed phases; algorithms with applications for molecular electronic excited state non-adiabatic dynamics with emphasis on conjugated molecular materials.