Web Directory

» 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/

» Carta, Giorgio
   Research includes the development and application of computational tools to assist the drug discovery process. Also lists publications.
   http://www.cartagiorgio.com

» 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/

» Gupta, Vineet
   Research interests in computational chemistry and molecular modeling and their application to biological macromolecules. Includes research profile and publications.
   http://sites.google.com/site/doctorvineetgupta/

» Kosenkov, Dmytro
   Developing ab initio based quantum chemical and multiscale methods for simulations of chemical and biological processes. Includes descriptions of research, a list of publications, recent news, and notes from his teaching assignments.
   http://www.kosenkov.org/

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

» 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/

» Richards, Graham
   Research areas include computer-aided molecular design, enzyme inhibition, membrane simulation and molecular similarity (Oxford University).
   http://www.chem.ox.ac.uk/researchguide/wgrichards.html

» 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/

» Sugny, Dominique
   Research interests include geometry and topology in classical and quantum mechanics, control by laser fields of molecular processes, and structure of molecular dynamics.
   http://icb.u-bourgogne.fr/OMR/DQNL/Sugny/professionel.html

» Zagidullina, Aygul
   Includes research interests (quantum chemical investigation of reaction mechanisms), publication list, curriculum vitae, personal details and contact information.
   http://aygul.nm.ru/

» 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/