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Rubio Group
Density functional theory: DFT and TDDFT, nanotubes, clusters, biological molecules (photoreceptors), electronic structure calculation, molecular dynamics, phonons and Raman spectra as well as transport in molecular devices.
http://dipc.ehu.es/arubio/index.php
Ehu.es ~ Site Info Whois Trace Route RBL Check

Theoretical Chemistry Group, University of Aarhus, Denmark
Electronic structure theory. Development and application of methods for describing the dynamics of molecules in gas and condensed phases.
http://www.chem.au.dk/~teo/teokem.html
Au.dk ~ Site Info Whois Trace Route RBL Check

McCammon, J. Andrew
Simulations of biochemical reactions in solution, in proteins, and at membrane interfaces through statistical and quantum mechanics (University of California at San Diego).
http://mccammon.ucsd.edu/
Ucsd.edu ~ Site Info Whois Trace Route RBL Check

Agmon, Noam
Molecular reaction dynamics in condensed phases; simulations of biomolecules (Hebrew University, Jerusalem).
http://www.fh.huji.ac.il/~agmon/
Huji.ac.il ~ Site Info Whois Trace Route RBL Check

Ben-Shaul, Avinoam
Theoretical studies of biomolecules (The Hebrew University of Jerusalem).
http://www.fh.huji.ac.il/~abs/
Huji.ac.il ~ Site Info Whois Trace Route RBL Check

Buch, Victoria
Quantum mechanics of highly anharmonic, weakly bound systems; theoretical studies of adsorbates on ice surfaces (Hebrew University, Jerusalem).
http://www.fh.huji.ac.il/~viki/
Huji.ac.il ~ Site Info Whois Trace Route RBL Check

Schwerdtfeger, Peter
Ab initio quantum chemistry with a particular focus on relativistic calculations (University of Auckland).
http://www.che.auckland.ac.nz/staffsites/SchwerdtfegerP/schwerdtfeger/ndx_nnav.html
Auckland.ac.nz ~ Site Info Whois Trace Route RBL Check

Sherrill, C. David
Ab initio and density functional quantum chemistry (Georgia Institute of Technology).
http://vergil.chemistry.gatech.edu/
Gatech.edu ~ Site Info Whois Trace Route RBL Check

Siepmann, J. Ilja
Monte Carlo simulations of condensed phases and molecular assemblies; studies of phase equilbria (University of Minnesota).
http://www.chem.umn.edu/groups/siepmann/
Umn.edu ~ Site Info Whois Trace Route RBL Check

Kosloff, Ronnie
Quantum molecular dynamics with a particular focus on coherent control and photochemistry in condensed phases (Hebrew University, Jerusalem).
http://www.fh.huji.ac.il/members/Kosloff/
Huji.ac.il ~ Site Info Whois Trace Route RBL Check