Aeon Computational Chemistry (Shanghai) Co. Ltd.

屹昂计算化学软件(上海)有限公司

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TURBOMOLE

For the latest 6.2 release, please see the release note.

TURBOMOLE is a powerful Quantum Chemistry (QC) program package, developed at the group of Prof. Ahlrichs at the University of Karlsruhe, covering a wide range of research areas from both academia and industry. With more than 15 years of development, TURBOMOLE has become a valuable tool for chemists, physicists and engineers.

The philosophy behind the development of the code was, and still is, its usefulness for applications: ?°Applications to molecules with more than 100 atoms -of all kinds- are mainly carried out in connection with experiments to check, correct and to predict properties of molecules and their existence. (Prof. Ahlrichs)

Presently TURBOMOLE is one of the fastest and most stable codes available for standard quantum chemical applications (HF, DFT, MP2). Unlike many other programs, the main focus in the development of TURBOMOLE has not been to implement all new methods and functionals, but to provide a fast and stable code which is able to treat molecules of industrial relevance at reasonable time and memory requirements. Especially the RI-DFT method often saves a factor 10 in CPU-time compared with many other QM programs. TURBOMOLE runs under LINUX and several UNIX variants in serial and parallel mode.

Aeon Computational Chemistry, Co. Ltd.
4299-A Jindu Road, 2017-96, Shanghai, CHINA 201108
Tel: +86 21 5475 9201 Fax: +86 21 5474 9202
Email: info@acc-sh.com