Agrafiotis, Dimitris K.
   Personal web site including references on computer-assisted combinatorial chemistry, diversity analysis and structure-based drug design.
   http://www.dimitris-agrafiotis.com/

Bayat, Hanif
   PhD candidate in the area of theoretical chemical physics at University of Toronto. Includes previous and current academical projects and works.
   http://www.chem.utoronto.ca/~hbayat/

Case, Fiona
   Molecular modeling of surfactants and polymers with an industrial focus.
   http://www.casescientific.com

Constans, Pere
   Molecular similarity theory, quantum chemistry, and numerical algorithms.
   http://www.molspaces.com

McCoy, Anne B.
   Theoretical studies of weakly bound clusters and of reaction dynamics in clusters and in solution.
   http://www.chemistry.ohio-state.edu/~mccoy/home/mccoy-home.html

Naidoo, Kevin J.
   Studies of macromolecular structure in condensed phases and in solution (University of Cape Town).
   http://hydrogen.cem.uct.ac.za/compchem/

Nonella, Marco
   Density functional and ab initio studies of biologically relevant chromophores.
   http://homepage.mac.com/marcononella

Patchkovskii, Serguei
   Theoretical and physical chemistry, semiempirical molecular orbital methods.
   http://www.cobalt.chem.ucalgary.ca/ps/

Peng Liu
   Theoretical Organic Chemistry. Theoretical study of transition metal catalyzed organic reactions.
   http://www.uoguelph.ca/~pliu/

Pyykkö, Pekka
   Ab initio quantum chemistry with a particular focus on relativistic calculations; nuclear quadrupole moments.
   http://www.chem.helsinki.fi/~pyykko/

Stone, Anthony
   Adsorption on ionic crystal surfaces, the Orient program for calculating structures and properties of weakly-bound systems, and the development of simple but accurate methods for describing intermolecular forces.
   http://www-stone.ch.cam.ac.uk/

Zapalowski, Michal
   Computer research of ionic solutions, radicals and biologically important molecules by classical and quantum mechanical modeling.
   http://zapalowski.fotomis.com

Znamenskiy, Vasiliy S.
   Molecular dynamics simulations of condensed phases, with an emphasis on ionic liquids.
   http://userhome.brooklyn.cuny.edu/vznamenskiy/index.html