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Breneman, Curt M.
Automated design and discovery of novel pharmaceuticals using semi-supervised learning in large molecular databases. Ab initio methods, data mining, and QSAR. (Rensselaer Polytechnic Institute)
http://www.rpi.edu/dept/chem/chem_faculty/profiles/breneman.html
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Lester, Jr., William A.
Quantum Monte Carlo studies of the electronic structure of atoms and small molecules (University of California at Berkeley).
http://www.cchem.berkeley.edu/walgrp/
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Handy, Nicholas
Ab initio and density functional quantum chemistry with an emphasis on development of new density functionals (Cambridge University).
http://www.ch.cam.ac.uk/staff/nch.html
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