the entire directory only in Computational/People

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See also:

• Science: Chemistry: Chemists (11)
• Science: Chemistry: Computational: Research Groups (36)

• Agrafiotis, Dimitris K. - Personal web site including references on computer-assisted combinatorial chemistry, diversity analysis and structure-based drug design.
• Bayat, Hanif - PhD candidate in the area of theoretical chemical physics at University of Toronto. Includes previous and current academical projects and works.
• Case, Fiona - Molecular modeling of surfactants and polymers with an industrial focus.
• Chihaia, Viorel - Atomic scale simulation through Hartree-Fock and density functional theories. Curriculum vitae, projects, publications, and software.
• Constans, Pere - Molecular similarity theory, quantum chemistry, and numerical algorithms.
• 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.
• Gupta, Vineet - Research interests in computational chemistry and molecular modeling and their application to biological macromolecules. Includes research profile and publications.
• 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.
• Naidoo, Kevin J. - Studies of macromolecular structure in condensed phases and in solution (University of Cape Town).
• Nonella, Marco - Density functional and ab initio studies of biologically relevant chromophores.
• Patchkovskii, Serguei - Theoretical and physical chemistry, semiempirical molecular orbital methods.
• Pyykkö, Pekka - Ab initio quantum chemistry with a particular focus on relativistic calculations; nuclear quadrupole moments.
• Richards, Graham - Research areas include computer-aided molecular design, enzyme inhibition, membrane simulation and molecular similarity (Oxford University).
• 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.
• 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.
• Zapalowski, Michal - Computer research of ionic solutions, radicals and biologically important molecules by classical and quantum mechanical modeling.
• Znamenskiy, Vasiliy S. - Molecular dynamics simulations of condensed phases, with an emphasis on ionic liquids.
• Znamenskiy, Vasily S - 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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