- Aspuru-Guzik, Alan
Studies the connections between quantum computation and chemistry, theoretical studies of renewable energy materials, and method development for density functional theory and quantum Monte Carlo (Harvard University).
http://aspuru.chem.harvard.edu/
(Added: Mon Apr 04 2011 Hits: 0 Rating: 0.00 Votes: 0)
Rate It
Review It
- Gao, Jiali
Structure and dynamics of organic molecules and biomolecules in solution; hybrid quantum mechanics/molecular mechanics methods. (University of Minnesota)
http://vesta.chem.umn.edu/
(Added: Mon Apr 04 2011 Hits: 0 Rating: 0.00 Votes: 0)
Rate It
Review It
- Gasteiger Group
Computer-representation of chemical structures and reactions. Simulation of chemical reactions and synthesis design. Calculation of fundamental physicochemical effects. Methods for the discovery and optimization of lead structures. Simulation and analysis of spectra. (University of Erlangen-Nürnberg)
http://www2.chemie.uni-erlangen.de/index.html
(Added: Mon Apr 04 2011 Hits: 0 Rating: 0.00 Votes: 0)
Rate It
Review It
- NIH Center for Molecular Modeling
Supplier of molecular modeling resources and expertise to the NIH research community. Development and application of theoretical and computational methodologies, from ab initio calculations of small organic molecules to molecular mechanics simulations of macromolecular systems.
http://cmm.cit.nih.gov/modeling/
(Added: Mon Apr 04 2011 Hits: 0 Rating: 0.00 Votes: 0)
Rate It
Review It
- 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
(Added: Mon Apr 04 2011 Hits: 0 Rating: 0.00 Votes: 0)
Rate It
Review It
- Tidor, Bruce
Structure and properties of proteins, nucleic acids, and their complexes. Investigations probe the sources of stability and specificity that drive folding and binding events of macromolecules. (Massachusetts Institute of Technology)
http://mit.edu/tidor/
(Added: Mon Apr 04 2011 Hits: 0 Rating: 0.00 Votes: 0)
Rate It
Review It
|
