国外理论与计算化学科研单位
| 韩国 | Quantum Chemistry Laboratory, Department of Chemistry, Korea Advanced Institute of Science and Technology (KAIST), Daejeon 305-701, South Korea | http://qclab.kaist.ac.kr |
| 日本 | 九州大学理論化学研究室 | http://ccl.scc.kyushu-u.ac.jp/ |
| Yanai Group, Institute for Molecular Science, Japan | http://qcl.ims.ac.jp/index.html | |
| Next-generation Molecular Theory Unit, Advanced Science Institute, RIKEN, Japan | http://www.riken.jp/qcl/index_e.html | |
| Quantum Chemistry Research Institute, Kyoto, Japan | http://www.qcri.or.jp/ | |
| 德国 | Institute for Theoretical Chemistry, University of Stuttgart | http://www.uni-stuttgart.de/theochem/ |
| Theoretical Chemistry in Mainz | http://www.tc.uni-mainz.de | |
| MPI für Chemische Energiekonversion | http://www.cec.mpg.de/ | |
| Lehrstuhl für Theoretische Chemie, Ruhr-Universität Bochum | http://www.theochem.ruhr-uni-bochum.de/ | |
| Gruppenbild der Abteilung für Theoretische Chemie, Karlsruher Institut für Technologie | http://www.ipc.kit.edu/theochem/index.php | |
| Theoretical Chemistry Group, University of Cologne | http://www.uni-koeln.de/math-nat-fak/tcchem/index.html | |
| INSTITUTE OF THEORETICAL AND COMPUTATIONAL CHEMISTRY, Heinrich-Heine University Duesseldorf | http://www.theochem.uni-duesseldorf.de/ http://www.theochem.hhu.de/ | |
| 瑞士 | The Reiher research group, ETH Zürich | http://www.reiher.ethz.ch/about/index |
| 荷兰 | Division of Theoretical Chemistry, VU University Amsterdam | http://www.chem.vu.nl/en/research/division-theoretical-chemistry/ |
| Department of Theoretical Chemistry, University of Groningen | http://theochem.chem.rug.nl/ | |
| 俄罗斯 | Quantum Chemistry Laboratory, Petersburg Nuclear Physics Institute | http://www.qchem.pnpi.spb.ru/ |
| V.A.Fock Institute of Physics, Saint Petersburg State University | http://www.niif.spbu.ru/index_en.html | |
| 意大利 | Theoretical Chemistry Group, University of Turin | http://www.theochem.unito.it/ |
| 瑞典 | Department of Theoretical Chemistry, Lund University | http://www.teokem.lu.se |
| 英国 | Cambridge University Centre for Computational Chemistry | http://www-theor.ch.cam.ac.uk/ |
| 法国 | Laboratory of Quantum Chemistry and Quantum Physics, University Paul Sabatier | http://www.lcpq.ups-tlse.fr |
| 挪威 | Centre for Theoretical and Computational Chemistry, University of Oslo | http://www.mn.uio.no/kjemi/english/?vrtx=unit-view&areacode=151240 |
| 以色列 | Fritz Haber Center for Molecular Dynamics, the Hebrew University of Jerusalem | http://www.fh.huji.ac.il/ |
| 美国 | Chemical Theory Center, University of Minnesota | http://www.chem.umn.edu/ctc/ |
| Center for Computational Molecular Science and Technology, Georgia Institute of Technology | http://www.ccmst.gatech.edu/ | |
| Center for Computational Quantum Chemistry, The University of Georgia | http://www.ccqc.uga.edu/ | |
| Quantum Theory Project, University of Florida | http://www.qtp.ufl.edu/ | |
| Mark Gordon's Quantum Theory Group, Ames Laboratory/Iowa State University | http://www.msg.ameslab.gov | |
| Environmental Molecular Sciences Laboratory at the Pacific Northwest National Laboratory | http://www.emsl.pnl.gov/ | |
| 加拿大 | The Ziegler Research Group resides at the University of Calgary | http://www.cobalt.chem.ucalgary.ca/group/master.html |
| 新西兰 | Centre for Theoretical Chemistry and Physics, Massey University | http://ctcp.massey.ac.nz/ |