Research Groups
Links
Center for Superfunctional Materials
Design of novel functional molecular and nano systems based on principles of quantum chemistry (Pohang University of Science and Technology, Korea).
Clark, Tim
http://www.ccc.uni-erlangen.de/clark/
Development and application of molecular orbital methods, particularly semiempirical methods and the VAMP program. (Erlangen University)
Computational Chemistry Group, U.S. National Institute of Standards and Technology (NIST)
Ab initio quantum chemistry and computational thermochemistry.
Cramer, Christopher J.
http://pollux.chem.umn.edu/~cramer/
Ab initio and density functional quantum chemistry with a particular focus on biomolecules, solvation phenomena, and atomic partial charges.
Department of Theoretical Chemistry, Vrije Universiteit Amsterdam
http://www.chem.vu.nl/tc/index-en.html
Density functional quantum chemistry, molecular response properties, and computational studies of chemisorption and catalysis.
Drug Design Laboratory, Milan University
Molecular modeling resources, software and projects. Home of the programs Vega and BioDock.
Elber, Ron
http://www.fh.huji.ac.il/members/Elber/
Theoretical studies of biomolecular structure and dynamics (Hebrew University Jerusalem).
First Principles Research
http://www.firstprinciples.com/
Ab initio quantum chemistry and computational studies of superconductors.
Gao, Jiali
Structure and dynamics of organic molecules and biomolecules in solution; hybrid quantum mechanics + molecular mechanics methods.
Gasteiger Group
http://www2.chemie.uni-erlangen.de/index.html
Computer-representation of chemical structures and reactions. Simulation of chemical reactions and synthesis design. Calculation of fundamental physicochemical effects. Methods for the discovery and optimization of lead structures. Simulation and analysis of spectra. (University of Erlangen-Nrnberg)