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Pyykkö, Pekka (Popularity:  ): Ab initio quantum chemistry with a particular focus on relativistic calculations; nuclear quadrupole moments.
Baer, Roi (Popularity: ): Electronic structure of large systems; quantum molecular dynamics simulations.
Znamenskiy, Vasiliy S. (Popularity: ): Molecular dynamics simulations of condensed phases, with an emphasis on ionic liquids.
Rohs, Remo (Popularity: ): Monte Carlo simulations of proteins and nucleic acids; ligand binding to nucleic acids.
Aspuru-Guzik, Alan (Popularity: ): Theoretical physical chemistry. In particular, interested in the electronic structure of atoms and molecules and in statistical mechanics.
Stone, Anthony (Popularity: ): Adsorption on ionic crystal surfaces, the Orient program for calculating structures and properties of weakly-bound systems, and the development of ...
Agrafiotis, Dimitris K. (Popularity: ): Personal web site including references on computer-assisted combinatorial chemistry, diversity analysis and structure-based drug design.
Patchkovskii, Serguei (Popularity: ): Theoretical and physical chemistry, semiempirical molecular orbital methods.
Zapalowski, Michal (Popularity: ): Computer research of ionic solutions, radicals and biologically important molecules by classical and quantum mechanical modeling.
Case, Fiona (Popularity: ): Molecular modeling of surfactants and polymers with an industrial focus.
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Popular Sites |
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Rohs, Remo (Popularity: ): Monte Carlo simulations of proteins and nucleic acids; ligand binding to nucleic acids.
Aspuru-Guzik, Alan (Popularity: ): Theoretical physical chemistry. In particular, interested in the electronic structure of atoms and molecules and in statistical mechanics.
Znamenskiy, Vasiliy S. (Popularity: ): Molecular dynamics simulations of condensed phases, with an emphasis on ionic liquids.
Agrafiotis, Dimitris K. (Popularity: ): Personal web site including references on computer-assisted combinatorial chemistry, diversity analysis and structure-based drug design.
Pyykkö, Pekka (Popularity: ): Ab initio quantum chemistry with a particular focus on relativistic calculations; nuclear quadrupole moments.
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