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About Q-Chem

Q-Chem, Inc. brings commercial, academic and government scientists worldwide in pharmaceuticals, materials science, biochemistry and other fields a comprehensive ab initio quantum chemistry program to solve computational problems faster, more accurately and less expensively than they could otherwise. Q-Chem also provides users with the highest level of technical support possible. The company was established in 1993.

Thousands of Q-Chem copies are being used around the world. About 55,000 licensed copies of Q-Chem have been sold up to date through Spartan alone. The citations of the two Q-Chem papers reached 300 per year in 2014, and is growing (as reported by ISI Web of Science). As part of the IBM World Community Grid, about 350,000 Q-Chem calculations are performed every day by the Harvard Clean Energy Project , which is powered by Q-Chem, free of charge.

Fig. 1 Citations of the Q-Chem 2, Q-Chem 3 and Q-Chem 4 papers.

QChem Research

Q-Chem is an open-teamware project. The source code is open to a large group of developers (currently more than 100 individuals in 9 countries), who can also check in their features to appear in the official releases as long as they do not violate the integrity of the code and are scientifically sound. To apply to become a developer, contact Dr. Zhengting Gan at zgan@q-chem.com. Successful applicants will be asked to sign a non-disclosure agreement pledging to respect intellectual property of other developers by protecting the code from unauthorized access.

Peter Gill


Peter M. W. Gill

President of Q-Chem, Inc.
Professor at Australian National University

John Herbert


John Herbert

Member, Board of Directors of Q-Chem, Inc.
Professor at Ohio State University

Anna Krylov


Anna Krylov

Member, Board of Directors of Q-Chem, Inc.
Professor at University of Southern California

Hilary Pople


Hilary Pople

Member, Board of Directors of Q-Chem, Inc.
Chief Accountant of Q-Chem, Inc.
Daughter of Q-Chem Founder, Sir John Pople

Fritz Schaefer III


H. Fritz Schaefer III

Member Emeritus, Board of Directors of Q-Chem, Inc.
Graham-Purdue Professor of Chemsitry at the University of Georgia
Director of the Center for Computational Chemistry at the University of Georgia

Martin Head-Gordon


Martin Head-Gordon

Professor at University of California, Berkeley

Evengy Epifanovsky


Evgeny Epifanovsky

Staff Scientist

Xintian Feng


Xintian Feng

Research Scientist

Zhengting Gan


Zhengting Gan

Head of Software Development
Head of Customer Relations


Fazle Rob

Research Scientist


Zhi-Qiang You

Research Scientist



MarySue Flick

Yihan Shao


Yihan Shao

Assistant Professor, Unversity of Oklahoma

Shawn Brown


Shawn T. Brown

Assistant Professor in the Department of Biostatistics at University of Pittsburgh
Research Fellow at the Pittsburgh Supercomputing Center



Tom Furlani


Tom R. Furlani 

Director, Center for Computational Research
NYS Center of Excellence in Bioinformatics and Life Sciences
University at Buffalo


Prakashan Korambath

High Performance Computing Consultant/Programmer Analyst, UCLA



Since 1993, Q-Chem, Inc. has brought commercial, academic and government scientists worldwide the highest quality quantum chemistry to solve computational problems with maximum speed, accuracy and value. The current and past Q-Chem developers are:

Terry R. Adams
Ross D. Adamson
Alan Aspuru-Guzik
Brian Austin
Roi Baer
Jon Baker
Alexis T. Bell
Gregory J. O. Beran
Yves Bernard
Nick A. Besley
Ksenia Bravaya
Bernard Brooks
Shawn T. Brown
Edward C. Byrd
David Casanova
Matt Challacombe
Jeng-Da Chai
Arup K. Chakraborty
Chun-Min Chang
Chiao-Lun Cheng
Siu-Hung Chien
Daniel M. Chipman
Christopher Cramer
Deborah Crittenden
Holger Dachsel
Jia Deng
Robert A. DiStasio Jr
Robert J. Doerksen
Jeremy P. Dombroski
Andreas Dreuw
Barry D. Dunietz
Anthony D. Dutoi
Richard Edgar
Evgeny Epifanovsky
Shervin Fatehi
Xintian Feng
Jan Florian
Thomas R. Furlani
Zhengting Gan
Debashree Ghosh
An Ghysels
Andrew T.B. Gilbert
Peter M.W. Gill
William Goddard III
Matthew Goldey
Mark Gordon
Martin Head-Gordon
Steven R. Gwaltney
Greg Hawkins
Warren J. Hehre
John M. Herbert
Andreas Heyden
Edward G. Hohenstein
So Hirata
Chao-Ping (Cherri) Hsu
Naoto Ishikawa
Leif D. Jacobson
Benny G. Johnson
Yousung Jung
Benjamin Kaduk
Ilya Kaliman
Gary Kedziora
Frerich J. Keil
Casey Kelly
Rustam Z. Khaliullin
Kirill Khistyaev
Phil Klunzinger
Jing Kong
Prakashan P. Korambath
Dmytro Kosenkov
Anna I. Krylov
Westin Kurlancheek
Tomasz Kus
Joerg Kussmann
Daniel Lambrecht

Arik Landau
Adrian Lange
Adele Laurent
Keith Lawler
Aaron M. Lee
Mike Lee
Sergey V. Levchenko
Wanzhang Liang
C. Y. (Leaf) Lin
Daniel Liotard
Fenglai Liu
Jie Liu
Ester Livshits
Rohini C. Lochan
I. Lotan
Prashant Manohar
Alek Marenich
Shan-Ping Mao
Paul E. Maslen
David R. Maurice
Laszlo Fusti-Molnar
Nikhil Nair
Melania Oana
D. P. O'Neill
Daniel Neuhauser
Christian Ochsenfeld
Ryan Olson
Manabu Oumi
John Parkhill
Baron Peters
Piotr A. Pieniazek
John A. Pople
Emil I. Proynov
Vitaly A. Rassolov
YoungMin Rhee
James P. Ritchie
Mary A. Rohrdanz
Edina Rosta
Nicholas Russ
Henry F. Schaefer III
Yihan Shao
C. David Sherrill
Michael Schmidt
Nathan E. Schultz
Shaama Sharada
Neil Shenvi
A. C. Simmonett
Lyudmila V. Slipchenko
Alex Sodt
Ryan P. Steele
Yu-Chuan Su
Joe E. Subotnik
Eric Sundstrom
Kanchana Thanthiriwatte
Alex J. W. Thom
Donald G. Truhlar
Vitalii Vanovschi
Troy Van Voorhis
Oleg Vydrov
Tao Wang
Arieh Warshel
Mark Watson
Chris White
Christopher F. Williams
H. Lee Woodcock III
Michael Wormit
Qin Wu
Xin Xu
Sina Yeganeh
Zhi-Qiang You
Weimin Zhang
Yan Zhao
Paul Zimmerman
Dmitri Zuev