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Science Chemistry Computational People
Science Chemistry Computational People sites
People.Computational.Chemistry.sciencenter.work |
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Science Chemistry Computational People
Science Chemistry Computational People sites
People.Computational.Chemistry.science-sites.work |
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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.
www.chem.utoronto.ca/~hbayat/ |
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Case, Fiona
Molecular modeling of surfactants and polymers with an industrial focus.
www.casescientific.com/ |
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Chihaia, Viorel
Atomic scale simulation through Hartree-Fock and density functional theories. Curriculum vitae , projects , publications , and software.
vchihaia.tripod.com/ |
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Constans, Pere
Molecular similarity theory , quantum chemistry , and numerical algorithms.
www.molspaces.com/ |
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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.
www.fisica.uniud.it/~ercolessi/ |
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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.
sites.google.com/site/doctorvineetgupta/ |
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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.
www.kosenkov.org/ |
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Patchkovskii, Serguei
Theoretical and physical chemistry , semiempirical molecular orbital methods.
www.cobalt.chem.ucalgary.ca/ps/ |
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Pyykkö, Pekka
Ab initio quantum chemistry with a particular focus on relativistic calculations; nuclear quadrupole moments.
www.chem.helsinki.fi/~pyykko/ |
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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.
www-stone.ch.cam.ac.uk/ |
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Zapalowski, Michal
Computer research of ionic solutions , radicals and biologically important molecules by classical and quantum mechanical modeling.
zapalowski.fotomis.com/ |
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Znamenskiy, Vasiliy S.
Molecular dynamics simulations of condensed phases , with an emphasis on ionic liquids.
userhome.brooklyn.cuny.edu/vznamenskiy/index.html |
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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.
www.znamenskiy.com/ |
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