People - Musharof Chy
Bayat, Hanif
PhD candidate in the area of theoretical chemical physics at University of Toronto. Includes previo...
Pyykkö, Pekka
Ab initio quantum chemistry with a particular focus on relativistic calculations; nuclear quadrupol...
Znamenskiy, Vasiliy S.
Molecular dynamics simulations of condensed phases, with an emphasis on ionic liquids.
Stone, Anthony
Adsorption on ionic crystal surfaces, the Orient program for calculating structures and properties ...
Patchkovskii, Serguei
Theoretical and physical chemistry, semiempirical molecular orbital methods.
Zapalowski, Michal
Computer research of ionic solutions, radicals and biologically important molecules by classical an...
Case, Fiona
Molecular modeling of surfactants and polymers with an industrial focus.
Constans, Pere
Molecular similarity theory, quantum chemistry, and numerical algorithms.
Chihaia, Viorel
Atomic scale simulation through Hartree-Fock and density functional theories. Curriculum vitae, pro...
Ercolessi, Furio
Includes a primer on molecular dynamics simulations, course material (in Italian), information on t...
Kosenkov, Dmytro
Developing ab initio based quantum chemical and multiscale methods for simulations of chemical and ...
Gupta, Vineet
Research interests in computational chemistry and molecular modeling and their application to biolo...