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TURBOMOLE GmbH

TURBOMOLE GmbH is a German software company that develops and commercializes the TURBOMOLE quantum chemistry program package for ab initio electronic structure calculations.

Last updated September 26, 2026

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Overview

TURBOMOLE GmbH is a private German software company based in Karlsruhe that owns, develops, and commercializes TURBOMOLE, a program package for ab initio electronic structure calculations. The software is used for quantum chemistry simulations on molecules, clusters, periodic systems, and solutions, and is designed to deliver high accuracy at low computational cost, scaling from a workstation to a supercomputer. The company was founded in 2007 by five core developers of the code, who are also its shareholders. TURBOMOLE GmbH holds the right to use, distribute, and commercialize the software, and owns a significant fraction of its source code. An irrevocable bylaw prevents the distribution of dividends, ensuring that all profits are reinvested into the TURBOMOLE project. The company offers licenses for research and industry, as well as a free educational license. Its headquarters are located at Litzenhardtstrasse 19, 76135 Karlsruhe, Germany. The managing directors are Prof. Dr. Florian Weigend and Prof. Dr. Marek Sierka. TURBOMOLE GmbH is registered at the Amtsgericht Mannheim under HRB 702063, with VAT ID DE 257059631. The company emphasizes scientific integrity, efficiency, and reliability, and is motivated by science and service to the community rather than profit.

History

TURBOMOLE originated in the late 1980s at the University of Karlsruhe and the Forschungszentrum Karlsruhe, where development began in 1989 under the group of Prof. Dr. Reinhart Ahlrichs. Over more than 35 years, the code evolved into a widely used quantum chemistry program package. In 2007, the developers founded TURBOMOLE GmbH to hold the rights to use, distribute, and commercialize the software. The company is owned by five shareholders, all core developers of different parts of the code. An irrevocable bylaw prevents the distribution of dividends, ensuring that every profit is reinvested into the TURBOMOLE project. The company remains headquartered in Karlsruhe and continues to develop and support the software, with recent releases such as TURBOMOLE 8.0.

  • 2007

    TURBOMOLE GmbH is founded by developers of the code.

  • 1989

    Development of TURBOMOLE starts at the University of Karlsruhe and the Forschungszentrum Karlsruhe.

  • Release of TURBOMOLE 8.0.

Products and positioning

Fast and robust quantum chemistry software with outstanding accuracy at low computational cost, built for practitioners and motivated by science rather than profit.

  • TURBOMOLE

    A program package for ab initio electronic structure calculations on molecules, clusters, periodic systems and solutions. It offers methods from routine DFT to explicitly correlated coupled cluster, with features including density functional theory, correlated wavefunctions, excited states, relativistic effects, spectra and properties.

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