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Open Directory - Science: Chemistry: Computational: People
Science: Chemistry: Chemists
Science: Chemistry: Computational: Research Groups
- PhD candidate in the area of theoretical chemical physics at University of Toronto. Includes previous and current academical projects and works.
- Molecular modeling of surfactants and polymers with an industrial focus.
- Atomic scale simulation through Hartree-Fock and density functional theories. Curriculum vitae, projects, publications, and software.
- Molecular similarity theory, quantum chemistry, and numerical algorithms.
- 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.
- Research interests in computational chemistry and molecular modeling and their application to biological macromolecules. Includes research profile and publications.
- 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.
- Theoretical and physical chemistry, semiempirical molecular orbital methods.
- Ab initio quantum chemistry with a particular focus on relativistic calculations; nuclear quadrupole moments.
- 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.
- Research interests include geometry and topology in classical and quantum mechanics, control by laser fields of molecular processes, and structure of molecular dynamics.
- 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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