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ACS Award for Computers in Chemical and Pharmaceutical Research

Purpose: To recognize and encourage the use of computers in the advancement of the chemical and biological sciences.

Nature: The award consists of $5,000 and a certificate. Up to $1,000 for travel expenses to the meeting at which the award will be presented will be reimbursed.

Eligibility: 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 for outstanding achievement in the use of computers in research, development, or education in the chemical and biological sciences.

Deadline: November 1 (annual review)

Establishment & Support: The ACS Division of Computers in Chemistry began sponsoring the award in 2014. ACS sponsored the Award in 2013. Accelrys, Inc. sponsored the award from 2011 to 2012 and from 2002 to 2007. The ACS financed the award in 2010 and from 1999 to 2001. Schrödinger sponsored the award from 2008 to 2009. IBM North America, Scientific and Technical Systems and Solutions sponsored the award from 1996 to 1998. The Digital Equipment Corporation established the award in 1984 and sponsored it through 1995.

Contact Information

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


2021: M. Katharine Holloway

2020: Charles L. Brooks III

2019: Arnie Hagler

2018: Jürgen Bajorath

2017: Yvonne C. Martin

2016: Warren J. Hehre

2015: David A. Case

2014: Martin Stahl

2013: H. Bernhard Schlegel

2012: Weitao Yang

2011: Thom H. Dunning, Jr.

2010: Kenneth M. Merz, Jr.

2009: Mark S. Gordon

2008: James A. McCammon

2007: Emily A. Carter

2006: Johann Gasteiger

2005: Peter Willett

2004: W. Graham Richards

2003: Kendall N. Houk

2002: Irwin D. Kuntz

2001: Martin Karplus

2000: Donald G. Truhlar

1999: Corwin H. Hansch

1998: William L. Jorgensen

1997: Harold A. Scheraga

1996: Norman L. Allinger

1995: Peter A. Kollman

1994: Michael J.S. Dewar

1993: W. Clark Still

1992: Ernest R. Davidson

1991: John A. Pople

1990: Peter C. Jurs

1989: Christie G. Enke

1988: W.A. Goddard III

1987: W. Todd Wipke

1986: Raymond E. Dessy

Back to List of Awards

2019 recipient Arnie Hagler (center) is presented his award by sponsor representative Michelle Lynn Hall (right) and Bonnie A. Charpentier (left).
Photo by Loris Guzzetta/ACS