William A. Goddard III


Born March 29, 1937 in El Centro, California, USA.

The Charles and Mary Ferkel Professor of Chemistry, Materials Science, & Applied Physics, California Institute of Technology.
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Arthur Amos Noyes Research Fellow, California Institute of Technology (1964–66) Professor of Theoretical Chemistry (1967–78) Professor of Chemistry & Applied Physics (1978–)

Visiting Staff Member of the Theoretical Physics Division, Los Alamos National Laboratory (1973–); Consultant for: General Motors Research Laboratories, Argonne National Laboratory, Bell Laboratories, Sandia National Laboratory, General Electric Research and Development Center, Shell Development Company, Research and Development Standard Oil Ohio, Triton Bioscience. The Buck Witney Medal (American Chemical Society 1978), Computers in Chemistry Award (1988). Member of National Academy of Science (1984); Member of International Academy of Quantum Molecular Science (–1988); Fellow of American Physical Society (–1988); ACS Award for Computers in Chemistry (1988); Richard M. Badger Teaching Prize in Chemistry, Caltech (1995); Feynman Prize for Nanotechnology Theory (1999); NASA Space Sciences Award (2000); Richard Chase Tolman Prize from the Southern California Section of the ACS (2000); Named as one of the 99 most Highly Cited Chemists for 1981 to 1999 (; Winner 2002 Prize in Computational Nanotechnology Design from the Institute for Molecular Manufacturing; Honoris Causa Philosophia Doctorem, Uppsala University, Sweden, January 2004; American Chemical Society Award for Theoretical Chemistry (2007); Fellow of the Royal Society Chemistry (2008); NASA Space Sciences Award for Space Shuttle Sensor (2009); Fellow of the American Academy of Arts and Sciences (2010); Distinguished Scientific Achievement 7th World Congress Oxidation Catalysis (2013); ISI Highly Cited Chemist for 2014, 2015, 2016; Clarivate Analytics Highly Cited Researcher 2018, 2019, and 2020

Author of:

More than 1425 scientific papers. Patents: 27 issued, 14 pending

Important Contributions:

  • Chemical reaction mechanisms from QM for catalysts: homogeneous, heterogeneous, and electrochemical
  • Grand Canonical QM prediction of electrocatalysis rates as function applied potential
  • Multiscale reactive force fields (ReaxFF and RexPoN) for predicting reactions and rates for systems with 1000's to millions of atoms
  • Coarse grain force fields for dynamical properties for micelles and for flow of polymers
  • Prediction of properties and stability of supports, catalysts, and electrolytes for fuel cells
  • Enhanced ductility of boron carbide ceramics
  • Impact induced decomposition of energetic materials, prediction of the Chapman-Jouguet State
  • Predicting structure, function, and activation of G-Protein coupled receptors (GPCRs) coupled to G-Protein or beta-arrestin
  • Predicting binding sites of ligands to proteins and ligand induced activation of G-Proteins
  • Prediction of programmable conditional-siRNA's for selective intracellular activation by specific RNA sequences