The first commercial product, Q-Chem 1.0, was released in March 1997. In preparation for the first commercial release, the company hired Eugene Fleischmann as marketing director and acquired its URL in January 1997. Postcard advertising the release of Q-Chem 1.0.
In mid-1993, Martin Head-Gordon, formerly a Pople student, but at that time on the Berkeley tenure track, joined the growing team of academic developers. Gill was soon joined by Benny Johnson (a Pople graduate student) and Carlos Gonzalez (another Pople postdoc), but the latter left the company shortly thereafter. The first lines of the Q-Chem code were written by Peter Gill, at that time a postdoc of Pople, during a winter vacation (December 1992) in Australia. It was founded in 1993 as a result of disagreements within the Gaussian company that led to the departure (and subsequent "banning") of John Pople and a number of his students and postdocs (see Gaussian License Controversy ). Q-Chem software is maintained and distributed by Q-Chem, Inc., located in Pleasanton, California, USA.
In addition to serving the computational chemistry community, Q-Chem also provides a versatile code development platform. It offers an integrated graphical interface and input generator a large selection of functionals and correlation methods, including methods for electronically excited states and open-shell systems solvation models and wave-function analysis tools. Q-Chem is a general-purpose electronic structure package featuring a variety of established and new methods implemented using innovative algorithms that enable fast calculations of large systems on various computer architectures, from laptops and regular lab workstations to midsize clusters and HPCC, using density functional and wave-function based approaches. Linux, FreeBSD, Unix and like operating systems, Microsoft Windows, Mac OS XĪb initio quantum chemistry, Density functional theory, QM/MM, AIMD, Computational chemistry
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