The development of advanced methodologies in theoretical chemistry has been crucial to improve our microscopic understanding of molecular processes, not only enhancing our ability to model and predict ...

Computational Chemistry is the study of complex chemical problems using a combination of computer simulations, chemistry theory and information science. Also called cheminformatics, this field enables ...

Citation: For the analytical gradient method, NMR parameter calculations, local correlation concept, and direct inversion in the iterative subspace technique. Current position: Roger B. Bost Professor ...

If you’re looking for a job that blends practical and theoretical chemistry and enjoy the continual process of learning, improving, and evolving chemical and manufacturing processes simultaneously, ...

The Chemistry Aptitude Test is a tool to help you choose the introductory chemistry course that is right for you to maximize your opportunity for success at SLU. In general, students who do not ...

The description of the behavior of large collections of atoms and molecules requires a combination of efforts: computer simulation methods and clever applications of statistical mechanics theory. Not ...