People

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

Chihaia, Viorel
Atomic scale simulation through Hartree-Fock and density functional theories. Curriculum vitae, projects, publications, and software.
http://vchihaia.tripod.com

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

Ercolessi, Furio
Includes a primer on molecular dynamics simulations, course material (in Italian), information on the MDBNCH benchmark for molecular dynamics codes, and links to related materials.
http://www.fisica.uniud.it/~ercolessi/

Kosenkov, Dmytro
Conducts research on DNA-related quantum chemical calculations. Includes descriptions of his research, a list of publications, recent news, and notes from his teaching assignments.
http://www.ccmsi.us/kosenkov/

Liu, Peng
Studies transition metal catalyzed reactions and other topics. Includes his CV, photographs and a blog.
http://pengliu.bol.ucla.edu/

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/

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

Ryzhkov, Andrew
Theoretical modeling of chemical systems and quantum chemical investigation of reaction mechanisms. Simulation of complex non-linear chemical reactions. Curriculum vitae an software.
http://redandr.tripod.com

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

Znamenskiy, Vasily S
Postdoctoral researcher specializing in simulations and quantum mechanical calculations on ionic liquids. Includes CV, publication list, and figures from his research.
http://www.znamenskiy.com/