Automated design and discovery of novel pharmaceuticals using semi-supervised learning in large molecular databases. Ab initio methods, data mining, and QSAR. (Rensselaer Polytechn...
http://www.rpi.edu/dept/chem/faculty/breneman/breneman.html
Led by Prof. Henry F. Schaefer III. Develops theoretical and computational methods for describing and understanding the movement and function of electrons in molecules and applies ...
http://www.ccc.uga.edu/
Design of novel functional molecular and nano systems based on principles of quantum chemistry (Pohang University of Science and Technology, Korea).
http://csm.postech.ac.kr
Development and application of molecular orbital methods, particularly semiempirical methods and the VAMP program. (Erlangen University)
http://www.ccc.uni-erlangen.de/clark/
Ab initio and density functional quantum chemistry with a particular focus on biomolecules, solvation phenomena, and atomic partial charges.
http://pollux.chem.umn.edu/~cramer/
Density functional quantum chemistry, molecular response properties, and computational studies of chemisorption and catalysis.
http://www.chem.vu.nl/tc/index-en.html
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