Research Groups

Vrije Universiteit Amsterdam. Een inspirerende onderwijsomgeving, internationaal toonaangevend op een aantal onderzoeksvelden. Een platform voor discussie over de relatie tussen wetenschap, levensbeschouwing en samenleving.

The Center for Computational Chemistry seeks to develop theorectical and computational methods through mathematical models for describing and understanding the movement and function of electrons in molecules and to apply the theorectical methods to significant problems of broad chemical interest.

Cambridge Centre for Computational Chemistry Homepage

DDL is the drug design laboratory of School of Pharmacy at Milan University

Theoretical and Computational Chemistry Research Group at the Center for Computational Chemistry, University of Erlangen-Nuremberg, Germany. Containing links to research projects and pages of current scientists and students with additional links to current research interests.

Our goal is to apply the principles of quantum mechanics and electronic structure theory to address problems in physical, organic, inorganic, and biological chemistry. High performance computers are used to solve the complex equations describing the system of interest, yielding predictions of structures, bonding, energetics, reactivity, and other physical properties

Studies of organic reactions in solution and in enzymes using Monte Carlo and semiempirical QM/MM simulations. (Yale University)

We study the structure and reactivity problems of real life molecules, clusters and solids using theoretical techniques ranging from the simplest of molecular orbital methods to the sophisticated electronic structure theory depending on the system at hand and the questions that are to be answered.

David Case Research Group

Research Theorists in Physics and Chemistry.