| Directory > Science > Chemistry > Computational > People Naidoo, Kevin J.
Studies of macromolecular structure in condensed phases and in solution.
http://hydrogen.cem.uct.ac.za/compchem/
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Nonella, Marco
Density functional and ab initio studies of biologically relevant chromophores.
http://homepage.mac.com/marcononella
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York, Darrin M.
Studies of nucleic acid chemistry using linear scaling quantum chemistry and hybrid quantum
mechanics + molecular mechanics approaches.
http://riesling.chem.umn.edu/~york/
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Truhlar, Donald G.
Potential energy surfaces for chemical reaction dynamics; transition state theory with an emphasis
on isotope effects and tunneling corrections.
http://comp.chem.umn.edu/truhlar/
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Siepmann, J. Ilja
Monte Carlo simulations of condensed phases and molecular assemblies; studies of phase equilbria.
http://siepmann6.chem.umn.edu/~group/
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Gao, Jiali
Structure and dynamics of organic molecules and biomolecules in solution; hybrid quantum mechanics
+ molecular mechanics methods.
http://vesta.chem.umn.edu/
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Cramer, Christopher J.
Ab initio and density functional quantum chemistry with a particular focus on biomolecules,
solvation phenomena, and atomic partial charges.
http://pollux.chem.umn.edu/~cramer/
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Rohs, Remo
Monte Carlo simulations of proteins and nucleic acids; ligand binding to nucleic acids.
http://www.remo-rohs.de/E-Start/e-start.html
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Znamenskiy, Vasiliy S.
Molecular dynamics simulations of condensed phases, with an emphasis on ionic liquids.
http://userhome.brooklyn.cuny.edu/vznamenskiy/index.html
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Baer, Roi
Electronic structure of large systems; quantum molecular dynamics simulations.
http://www.fh.huji.ac.il/~roib/
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Ben-Shaul, Avinoam
Theoretical studies of biomolecules.
http://www.fh.huji.ac.il/members/Ben-Shaul/
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Agmon, Noam
Molecular reaction dynamics in condensed phases; simulations of biomolecules.
http://www.fh.huji.ac.il/~agmon/
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Kosloff, Ronnie
Quantum molecular dynamics with a particular focus on coherent control and photochemistry in
condensed phases.
http://www.fh.huji.ac.il/members/Kosloff/
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Elber, Ron
Theoretical studies of biomolecular structure and dynamics.
http://www.fh.huji.ac.il/members/Elber/
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Buch, Victoria
Quantum mechanics of highly anharmonic, weakly bound systems; theoretical studies of adsorbates on
ice surfaces.
http://www.fh.huji.ac.il/members/Buch/
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Carter, Emily A.
Ab initio quantum chemistry and ab initio molecular dynamics, with an emphasis on condensed phases.
http://www.chem.ucla.edu/carter/
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Pyykkö, Pekka
Ab initio quantum chemistry with a particular focus on relativistic calculations; nuclear
quadrupole moments.
http://www.chem.helsinki.fi/~pyykko/
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McCoy, Anne B.
Theoretical studies of weakly bound clusters and of reaction dynamics in clusters and in solution.
http://www.chemistry.ohio-state.edu/~mccoy/home/mccoy-home.html
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Merz, Jr., Kenneth M.
Theoretical studies of biomolecules. The Merz group is a member of the AMBER development team.
http://merz.chem.psu.edu/
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Sherrill, C. David
Ab initio and density functional quantum chemistry.
http://vergil.chemistry.gatech.edu/
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Schwerdtfeger, Peter
Ab initio quantum chemistry with a particular focus on relativistic calculations.
http://www.che.auckland.ac.nz/staffsites/SchwerdtfegerP/schwerdtfeger/ndx_nnav.html
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Lester, Jr., William A.
Quantum Monte Carlo studies of the electronic structure of atoms and small molecules.
http://www.cchem.berkeley.edu/~walgrp
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Handy, Nicholas
Ab initio and density functional quantum chemistry with an emphasis on development of new density
functionals.
http://www.ch.cam.ac.uk/CUCL/staff/nch.html
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