AllMusicSearch Music Directory : Science : Chemistry : Computational : 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/

» 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/

http://sites.google.com/site/doctorvineetgupta/

» 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/

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

http://www.chem.ox.ac.uk/researchguide/wgrichards.html

» 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/

http://icb.u-bourgogne.fr/OMR/DQNL/Sugny/professionel.html

» 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

http://userhome.brooklyn.cuny.edu/vznamenskiy/index.html

» 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/

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