#Jmol simulation software

#Jmol simulation software

The TURBOMOLE software suite is optimized for widely available, inexpensive, and resource-efficient hardware such as multi-core workstations and small computer clusters. TURBOMOLE is a collaborative, multi-national software development project aiming to provide highly efficient and stable computational tools for quantum chemical simulations of molecules, clusters, periodic systems, and solutions. Note: This article is part of the JCP Special Topic on Electronic Structure Software. 4, 35032 Marburg, GermanyĪ)Authors to whom correspondence should be addressed:, , b)Present address: Department of Chemistry, University of California, Irvine, 1102 Natural Sciences II, Irvine, CA 92697-2025, USA. 20 Fachbereich Chemie, Philipps-Universität Marburg, Hans-Meerwein-Str.19 Department of Chemical Sciences, Tata Institute of Fundamental Research, Homi Bhabha Road, Colaba, Mumbai 400005, India.18 Fachbereich Chemie and Forschungszentrum OPTIMAS, Technische Universität Kaiserslautern, Erwin-Schrödinger-Staße 52, 67663 Kaiserslautern, Germany.

17 Physical and Theoretical Chemistry Laboratory, University of Oxford, South Parks Road, Oxford OX1 3QZ, United Kingdom.

16 Max Planck Institute for Solid State Research, Heisenbergstaße 1, 70569 Stuttgart, Germany.

15 Department of Chemistry and Biochemistry, California State University, Long Beach, 1250 Bellflower Boulevard, Long Beach, California 90840, USA.Otto-Schott-Institut für Materialforschung, Friedrich-Schiller-Universität Jena, Löbdergraben 32, 07743 Jena, Germany.13 Department of Chemistry, Aarhus Universitet, Langelandsgade 140, DK-8000 Aarhus, Denmark.12 Institute of Nanotechnology, Karlsruhe Institute of Technology (KIT), KIT Campus North, P.O.11 Department of Chemistry, University of North Carolina at Chapel Hill, Chapel Hill, North Carolina 27599, USA.10 Department of Chemistry, Case Western Reserve University, 10900 Euclid Avenue, Cleveland, Ohio 44106, USA.9 Forschungszentrum Jülich, Jülich Supercomputer Centre, Wilhelm-Jonen Straße, 52425 Jülich, Germany.8 Max-Planck-Institut für Kohlenforschung, Kaiser-Wilhelm-Platz 1, 45470 Mülheim an der Ruhr, Germany.7 TURBOMOLE GmbH, Litzenhardtstraße 19, 76135 Karlsruhe, Germany.6 Institut für Chemie, Theoretische Chemie/Quantenchemie, Technische Universität Berlin, Sekr.

5 Institute of Physical Chemistry, Karlsruhe Institute of Technology (KIT), KIT Campus South, P.O.4 Lehrstuhl für Theoretische Chemie, Ruhr-Universität Bochum, 44801 Bochum, Germany.3 Dassault Systèmes Deutschland GmbH, Imbacher Weg 46, 51379 Leverkusen, Germany.2 DTU Chemistry, Technical University of Denmark, Kemitorvet Build.1 Department of Chemistry, University of California, Irvine, 1102 Natural Sciences II, Irvine, California 92697-2025, USA.