ACS Award in Theoretical Chemistry Recipients

Congratulations to past recipients of the ACS Award in Theoretical Chemistry, which recognizes innovative research in theoretical chemistry that either advances theoretical methodology or contributes to new discoveries about chemical systems.


  • 2021: Sharon Hammes-Schiffer
  • 2020: Abraham Nitzan
  • 2019: Donald G. Truhlar
  • 2018: Emily Ann Carter
  • 2017: Peter Pulay
  • 2016: Roberto Car
  • 2015: Mark S. Gordon
  • 2014: Axel D. Becke
  • 2013: Frank H. Stillinger
  • 2012: Peter G. Wolynes
  • 2011: Nicholas C. Handy
  • 2010 - Bjorn O. Roos
  • 2009 - Robert G. Parr
  • 2008 - William A. Goddard III
  • 2007 - Rodney J. Bartlett
  • 2006 - Hans C. Andersen
  • 2005 - Eric J. Heller
  • 2004 - John C. Tully
  • 2003 - Henry F. Schaefer III
  • 2002 - Klaus Ruedenberg
  • 2001 - Michele Parrinello
  • 2000 - Ernest R. Davidson
  • 1999 - Benjamin Widom
  • 1998 - John A. Pople
  • 1997 - Rudolph A. Marcus
  • 1996 - David Chandler
  • 1995 - Bruce J. Berne
  • 1994 - William H. Miller
  • 1993 - Martin Karplus