Elber, Ron (Popularity: )

Theoretical studies of biomolecular structure and dynamics (Hebrew University Jerusalem).

Siepmann, J. Ilja (Popularity: )

Monte Carlo simulations of condensed phases and molecular assemblies; studies of phase equilbria (University of ...

NIH Center for Molecular Modeling (Popularity: )

Supplier of molecular modeling resources and expertise to the NIH research community. Development and application ...

McCammon, J. Andrew (Popularity: )

Simulations of biochemical reactions in solution, in proteins, and at membrane interfaces through statistical and ...

Handy, Nicholas (Popularity: )

Ab initio and density functional quantum chemistry with an emphasis on development of new density ...

Rubio Group (Popularity: )

Density functional theory: DFT and TDDFT, nanotubes, clusters, biological molecules (photoreceptors), electronic structure calculation, molecular ...

Ben-Shaul, Avinoam (Popularity: )

Theoretical studies of biomolecules (The Hebrew University of Jerusalem).

Lester, Jr., William A. (Popularity: )

Quantum Monte Carlo studies of the electronic structure of atoms and small molecules (University of ...

Gasteiger Group (Popularity: )

Computer-representation of chemical structures and reactions. Simulation of chemical reactions and synthesis design. Calculation of ...

Thiel, Walter (Popularity: )

Ab initio, density functional and semiempirical methods; QM/MM simulations. (Max Planck Institute for Bioinorganic Chemistry)

Agmon, Noam (Popularity: )

Molecular reaction dynamics in condensed phases; simulations of biomolecules (Hebrew University, Jerusalem).

Center for Superfunctional Materials (Popularity: )

Design of novel functional molecular and nano systems based on principles of quantum chemistry (Pohang ...

van Gunsteren, Wilfred F. (Popularity: )

Molecular dynamics simulations of biomolecular systems. (ETH Hönggerberg)

Schwerdtfeger, Peter (Popularity: )

Ab initio quantum chemistry with a particular focus on relativistic calculations (University of Auckland).

Allinger, Norman (Popularity: )

Molecular mechanics, particularly the MM2, MM3, and MM4 force fields. (University of Georgia)

Theoretical Chemistry Group, University of Aarhus, Denmark (Popularity: )

Electronic structure theory. Development and application of methods for describing the dynamics of molecules in ...

Tidor, Bruce (Popularity: )

Structure and properties of proteins, nucleic acids, and their complexes. Investigations probe the sources of ...

Statistical Mechanical Molecular Simulation Group - Arrhenius Laboratory (Popularity: )

Biophysics multiscale computer simulation group, active in method development and applications from detailed first-principles simulations, ...

Buch, Victoria (Popularity: )

Quantum mechanics of highly anharmonic, weakly bound systems; theoretical studies of adsorbates on ice surfaces ...

Kosloff, Ronnie (Popularity: )

Quantum molecular dynamics with a particular focus on coherent control and photochemistry in condensed phases ...