«Chemistry»  : «Computational»  : People Sites

Science Chemistry Computational People
Science Chemistry Computational People sites
Science Chemistry Computational People
Science Chemistry Computational People sites
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.
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.
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.
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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