For general information regarding Q-Chem program, visit www.q-chem.com. Full customer support is promptly provided via telephone or email (support@q-chem.com) for those customers who have purchased Q-Chem’s “QMP” maintenance contract. In addition to free customer support, this contract provides discounts on future updates and releases of Q-Chem. For details of the maintenance contract please see www.q-chem.com.
Q-Chem, Inc. was founded in 1993 and was based in Pittsburgh, PA until 2013, when it relocated to Pleasanton, CA. Q-Chem’s scientific contributors include leading quantum chemists around the world. The company is governed by the Board of Directors which currently consists of Peter Gill (Canberra), Anna Krylov (USC), John Herbert (Ohio State), and Hilary Pople. Fritz Schaefer (Georgia) is a Board Member Emeritus. Martin Head-Gordon is a Scientific Advisor to the Board. The close coupling between leading university research groups and Q-Chem Inc. ensures that the methods and algorithms available in Q-Chem are state-of-the-art.
In order to create this technology, the founders of Q-Chem, Inc. built entirely new methodologies from the ground up, using the latest algorithms and modern programming techniques. Since 1993, well over 300 person-years have been devoted to the development of the Q-Chem program. The author list of the program shows the full list of contributors to the current version, and the journal citations for Q-Chem versions 2, 3, and 4[Kong et al.(2000)Kong, White, Krylov, Sherrill, Adamson, Furlani, Lee, Lee, Gwaltney, Adams, Ochsenfeld, Gilbert, Kedziora, Rassolov, Maurice, Nair, Shao, Besley, Maslen, Dombroski, Daschel, Zhang, Korambath, Baker, Byrd, Voorhis, Oumi, Hirata, Hsu, Ishikawa, Florian, Warshel, Johnson, Gill, Head-Gordon, and Pople, Shao et al.(2006)Shao, Fusti-Molnar, Jung, Kussmann, Ochsenfeld, Brown, Gilbert, Slipchenko, Levchenko, O’Neill, DiStasio Jr., Lochan, Wang, Beran, Besley, Herbert, Lin, Voorhis, Chien, Sodt, Steele, Rassolov, Maslen, Korambath, Adamson, Austin, Baker, Byrd, Dachsel, Doerksen, Dreuw, Dunietz, Dutoi, Furlani, Gwaltney, Heyden, Hirata, Hsu, Kedziora, Khalliulin, Klunzinger, Lee, Lee, Liang, Lotan, Nair, Peters, Proynov, Pieniazek, Rhee, Ritchie, Rosta, Sherrill, Simmonett, Subotnik, Woodcock III, Zhang, Bell, Chakraborty, Chipman, Keil, Warshel, Hehre, Schaefer III, Kong, Krylov, Gill, and Head-Gordon, Shao et al.(2015)Shao, Gan, Epifanovsky, Gilbert, Wormit, Kussmann, Lange, Behn, Deng, Feng, Ghosh, Goldey, Horn, Jacobson, Kaliman, Khaliullin, Kús, Landau, Liu, Proynov, Rhee, Richard, Rohrdanz, Steele, Sundstrom, Woodcock III, Zimmerman, Zuev, Albrecht, Alguire, Austin, Beran, Bernard, Berquist, Brandhorst, Bravaya, Brown, Casanova, Chang, Chen, Chien, Closser, Crittenden, Diedenhofen, DiStasio Jr., Dop, Dutoi, Edgar, Fatehi, Fusti-Molnar, Ghysels, Golubeva-Zadorozhnaya, Gomes, Hanson-Heine, Harbach, Hauser, Hohenstein, Holden, Jagau, Ji, Kaduk, Khistyaev, Kim, Kim, King, Klunzinger, Kosenkov, Kowalczyk, Krauter, Lao, Laurent, Lawler, Levchenko, Lin, Liu, Livshits, Lochan, Luenser, Manohar, Manzer, Mao, Mardirossian, Marenich, Maurer, Mayhall, Oana, Olivares-Amaya, O’Neill, Parkhill, Perrine, Peverati, Pieniazek, Prociuk, Rehn, Rosta, Russ, Sergueev, Sharada, Sharmaa, Small, Sodt, Stein, Stück, Su, Thom, Tsuchimochi, Vogt, Vydrov, Wang, Watson, Wenzel, White, Williams, Vanovschi, Yeganeh, Yost, You, Zhang, Zhang, Zhou, Brooks, Chan, Chipman, Cramer, Goddard III, Gordon, Hehre, Klamt, Schaefer III, Schmidt, Sherrill, Truhlar, Warshel, Xua, Aspuru-Guzik, Baer, Bell, Besley, Chai, Dreuw, Dunietz, Furlani, Gwaltney, Hsu, Jung, Kong, Lambrecht, Liang, Ochsenfeld, Rassolov, Slipchenko, Subotnik, Van Voorhis, Herbert, Krylov, Gill, and Head-Gordon] illustrate the breadth of the Q-Chem developer community. The current group of developers consist of more than 100 people in 9 countries. A brief history of Q-Chem is given in the recent article Q-Chem: An Engine for Innovation.[Krylov and Gill(2013)]
The mission of Q-Chem, Inc. is to develop, distribute, and support innovative and sustainable quantum chemistry software for industrial, government and academic researchers in the chemical, petrochemical, biochemical, pharmaceutical and material sciences.