Computational Chemistry Group, U.S. National Institute of Standards and Technology (NIST) (Popularity: )

Ab initio quantum chemistry and computational thermochemistry.

Theoretical Chemistry Group, University of Oslo (Popularity: )

Ab initio quantum chemistry, molecular response properties, and explicitly correlated electronic wavefunctions.

Drug Design Laboratory, Milan University (Popularity: )

Molecular modeling resources, software and projects. Home of the programs Vega and BioDock.

Theoretical Chemistry Division, Royal Institute of Technology (KTH), Sweden (Popularity: )

Ab initio quantum chemistry, molecular response properties, and nonlinear optical properties.

Baik Group (Popularity: )

Computational chemistry and molecular modeling.

Sherrill, C. David (Popularity: )

Ab initio and density functional quantum chemistry (Georgia Institute of Technology).

Cambridge Centre for Computational Chemistry (Popularity: )

Condensed matter science, surface science and statistical mechanics of complex and disordered systems.

Department of Theoretical Chemistry, Vrije Universiteit Amsterdam (Popularity: )

Density functional quantum chemistry, molecular response properties, and computational studies of chemisorption and catalysis.

Wetmore Group (Popularity: )

Computational chemistry.

First Principles Research (Popularity: )

Ab initio quantum chemistry and computational studies of superconductors.

Schlegel Group (Popularity: )

Computational chemistry.

Jorgensen, William L. (Popularity: )

Studies of organic reactions in solution and in enzymes using Monte Carlo and semiempirical QM/MM ...

Carter, Emily A. (Popularity: )

Ab initio quantum chemistry and ab initio molecular dynamics, with an emphasis on condensed phases ...

Cramer, Christopher J. (Popularity: )

Ab initio and density functional quantum chemistry with a particular focus on biomolecules, solvation phenomena, ...

Jemmis, E. D (Popularity: )

Applied theoretical chemistry, structure and reactivity of organic and organometallic molecules and clusters using electronic ...

Jurs, Peters C. (Popularity: )

Computer-assisted methods for investigating relationships linking molecular structures of organic compounds with their physicochemical properties ...

Case, David A. (Popularity: )

Computer modeling of the structure and dynamics of proteins and nucleic acids. (Scripps Research Institute).

York, Darrin M. (Popularity: )

Studies of nucleic acid chemistry using linear scaling quantum chemistry and hybrid quantum mechanics + ...

Truhlar, Donald G. (Popularity: )

Potential energy surfaces for chemical reaction dynamics; transition state theory with an emphasis on isotope ...

Gao, Jiali (Popularity: )

Structure and dynamics of organic molecules and biomolecules in solution; hybrid quantum mechanics + molecular ...