All NewsTheoretical chemistry departments and groups
home pages of individuals and groups
- Theoretical Chemistry, Manz group, at the department of chemistry of the FU Berlin
- David Clary’s group in the Chemistry department of the University College, London
- Russ Pack at Los Alamos National Laboratory
- Walter Thiel‘s group at the MPI Mülheim, Kohlenforschung (old: Walter Thiel’s group at theInstitute of Organic Chemistry, Uni Zuerich)
- Don Truhlar’s group at the chemistry department of the Twin Cities Campus of theUniversity of Minnesota
- Bill Miller’s group at Berkeley
- Reinhard Schinke’s group at the MPI für Strömungsforschung
- Theoretical Chemistry at University of Regensburg. contains: extensive list of Chemistry Servers and Resources by Herbert Homeier
- Millard Alexander’s group at the Department of Chemistry and Biochemistry, University of Maryland
- David E. Weeks II home page at the Air University of the Air Force (reactive scattering via Moller states in the time-dependent interaction picture)
- Physikalische und Theoretische Chemie, Uni Bonn
- Mike Allen’s personal home page, with a link to all the demonstration program source codes of the book “Computer Simulation of Liquids” by Allen/Tildesley
- D.J.Wales’ group (Cambridge), including Jon Doye and the Cambridge Cluster Database
- Roy Johnston and the Birmingham Cluster Web, University of Birmingham, UK.
- Martin Chaplin’s water web site, featuring huge water clusters and lots of info
- Carlos Barron at the University of Houston, and LJ-clusters with N>150 (currently up to N=309; grid-based, though…)
- public material
- A.J.Stone (Cambridge) (ORIENT program)
- T.P.Martin’s group at MPI Stuttgart, with links to several other cluster groups
- R.J.Saykally’s group at Berkeley
- CCP1 (Daresbury), with links to their current flagship project “hybrid QM/MM methods”(containing also links to the other CCP’s)
- Bernd Abel‘s and Martin Suhm‘s groups at the Institute for Physical Chemistry, Uni Göttingen
- Benny Gerber‘s group at the Fritz Haber center for molecular dynamics research
- Wolfgang Roth’s pages on water clusters (ex-Kleinermanns group)
- Martin Jarrold’s group at Northwestern University, Evanston, Illinois; now moved to Indiana Univ.
- Thomas Frauenheim‘s group in Paderborn; now at the Bremen Center for Computational Materials Science
- Arbeitsgruppe Potentialflächenanalyse, Uni Leipzig (Heidrich, Quapp, et al.)
- Joel Bowman‘s group at Emory University, Atlanta
- Sotiris Xantheas in the Molecular Theory Group at Pacific Northwest National Lab, Richland
- Ken Jordan‘s group at Pittsburgh, and the center for molecular and materials simulations
- W. L. Jorgensen‘s group at Yale
- Kirk Peterson at Washington State University and EMSL
- Michèle Desouter-Lecomte‘s group at the University of Paris-Sud XI (including David Lauvergnat, Benjamin Lasorne, etc.)
- Stefan Bromley, computational chemistry at TU Delft, now at computational materials science laboratory of the Univ Barcelona.
- Adri van Duin at the Department of Mechanical and Nuclear Engineering, Penn State Univ.
departments and universities
- Institut für Physikalische Chemie der Sektion Chemie der Uni Kiel
- gas hydrate research at the GEOMAR research center in Kiel
- Institut fuer Theoretische Chemie, Fakultät Chemie, Universitaet Stuttgart
- MPI Stuttgart
- Fritz-Haber Center (Kosloff, Benny Gerber, Levine) at the Hebrew University, Jerusalem, Israel
- Chemistry at Northern Illinois University. hosted the 1st, 2nd, and 3rd Electronic Computational Chemistry Conferences; contains comprehensive list of Chemistry Information on the Internet
- Chemistry at UCLA contains: WWW virtual library: Chemistry
- Chemistry at the University of Sheffield. contains: “ChemDex” index of Chemistry WWW sites, ChemPuter, and WebElements
- Cornell Theory Center at Cornell University
- Chemistry at Brown University. host to the Chemical Physics Preprint Database
- CERN
- Oxford University, with link to the Physical and Theoretical Chemistry Lab (David Manolopoulos)
- Caltech
- MIT
- Ames Laboratory, Iowa
- Los Alamos National Laboratory (Russ Pack)
- Chemistry Department of the University of Washington
- Physical Chemistry Institute, Julius-Maximilians-Universitaet Wuerzburg
- Chemistry Department and Pharmacy Department of the Philipps-Universitaet Marburg(including my father’s home page)
- Chemistry at Hannover
- Physical Chemistry Institute of the Department of Chemistry, ETH Zuerich
- Montevideo Theoretical Chemistry Lab. contains: Other Theoretical Chemistry Servers list compiled by Oscar N. Ventura
- department of physical chemsitry, Darmstadt, including quantum and classical simulations, and link to the Bunsen-Gesellschaft fuer Physikalische Chemie
- department of physical chemistry, Uni Goettingen
- Institute of Physical and Theoretical Chemistry, Uni Frankfurt
- Chemistry at Heidelberg
- Ruhr-Universitaet Bochum
- Universidad de Concepcion, Chile
- Universidad de Chile, Santiago de Chile
- molecular modelling research group at the University of Sassari, Italy; contains a good list of pointers to computational chemistry web resources
- The EBI: CUSI search services, a comprehensive collection of web search tools, by theEuropean Bioinformatics Institute, Cambridge, an outstation of the European Molecular Biology Laboratory in Heidelberg
- Deutsches Krebsforschungszentrum, Heidelberg
- International University Bremen
- Forschungszentrum Karlsruhe, mit nanomat, dem überregionalen Netzwerk für Nanotechnologie
- Center for Functional Nanostructures, Uni Karlsruhe
- Institute for Algorithms and Scientific Computing of the GMD (Gesellschaft für Mathematik und Datenverarbeitung, Sankt Augustin; jetzt “Forschungszentrum Informationstechnik GmbH”), with its Computational Chemistry area
general academia
- USNews ranking of colleges and universities
computer centers and computer science departments
- Ohio Supercomputer Center
- NCSA: National Center for Supercomputing Applications, University of Illinois at Urbana-Champaign, including NCSA Mosaic
- Minnesota Supercomputer Center Inc. (MSCI), with links e.g. to Xmol Mathematics and Computer Science Division of the Argonne National Laboratory
- Scientific Computing Division of NCAR and UCAR, including a collection of mathematicaland graphical libraries
Last updated on Sat Jan 15 08:45:54 MET DST 2010