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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.
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.
Last update:August 6, 2016 at 4:15:02 UTC