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

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

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

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

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

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

Ercolessi, Furio - http://www.fisica.uniud.it/~ercolessi/
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.

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

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

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

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

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

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

Stone, Anthony - http://www-stone.ch.cam.ac.uk/
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.

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

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

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

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

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

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