ACS Award in Theoretical Chemistry

Purpose: To recognize innovative research in theoretical chemistry that either advances theoretical methodology or contributes to new discoveries about chemical systems.

Nature: The award consists of $5,000 and a certificate. Up to $2,500 for travel expenses to the meeting at which the award will be presented will be reimbursed.

Eligibility: A nominee must have accomplished innovative research in the field of theoretical chemistry. Emphasis in the selection process will be on work characterized by depth, originality, and scientific significance. The award will be granted regardless of race, gender, age, religion, ethnicity, nationality, sexual orientation, gender expression, gender identity, presence of disabilities, and educational background.

Deadline: November 1 (annual review).

Establishment & Support: The ACS began sponsorship in 2015. The ACS Division of Physical Chemistry will begin sponsoring this award in 2017. Dell Incorporated sponsored the award from 2010-2014. The ACS sponsored this award in 2009. The award was established in 1991 and sponsored by the IBM Corp. until 2008.

Contact Information

Awards Office
American Chemical Society
1155 16th Street NW
Washington, D.C. 20036-4801
Phone: 202-872-4575
Fax: 202-776-8008


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

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2017 recipient Peter Pulay (center) is presented his award by sponsor representative Greg Engel (right), and Allison A. Campbell, ACS President (left).