TURBOMOLE

In 2007, TURBOMOLE GmbH, founded by R. Ahlrichs, F. Furche, C. Hättig, W. Klopper, M. Sierka, and F. Weigend, took over the responsibility for the coordination of the scientific development of TURBOMOLE program, for which the company holds all copy and intellectual property rights.

Since 1987, this program is one of the useful tools as it involves in many fields of research including heterogeneous and homogeneous catalysis, organic and inorganic chemistry, spectroscopy as well as biochemistry.

Turbomole was developed in 1987 and turned into a mature program system under the control of Reinhart Ahlrichs and his collaborators.

Turbomole can perform a large-scale quantum chemical simulations of molecules, clusters, and later periodic solids.

Turbomole also comes with another significant additions including nonadiabatic molecular dynamics, ultra-efficient higher order CC methods, new density functionals and periodic calculations.

Citations to the first Turbomole article ( doi : 10.1016/0009-2614(89)85118-8 ) as of 26 November 2015 from Scopus
Citations to the second Turbomole article ( doi : 10.1002/wcms.1162 ) as of 1 December 2015 from Web of Science