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  • Bayat, Hanif - PhD candidate in the area of theoretical chemical physics at University of Toronto. Includes previous and current academical projects and works.
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  • Case, Fiona - Molecular modeling of surfactants and polymers with an industrial focus.
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  • Chihaia, Viorel - Atomic scale simulation through Hartree-Fock and density functional theories. Curriculum vitae, projects, publications, and software.
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  • Constans, Pere - Molecular similarity theory, quantum chemistry, and numerical algorithms.
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  • 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.
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  • Gupta, Vineet - Research interests in computational chemistry and molecular modeling and their application to biological macromolecules. Includes research profile and publications.
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  • 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.
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  • Patchkovskii, Serguei - Theoretical and physical chemistry, semiempirical molecular orbital methods.
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  • Pyykkö, Pekka - Ab initio quantum chemistry with a particular focus on relativistic calculations; nuclear quadrupole moments.
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  • 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.
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  • 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.
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  • Zapalowski, Michal - Computer research of ionic solutions, radicals and biologically important molecules by classical and quantum mechanical modeling.
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  • Znamenskiy, Vasiliy S. - Molecular dynamics simulations of condensed phases, with an emphasis on ionic liquids.
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  • 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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Last update: December 4, 2013 at 17:45:08 UTC - edit