Welcome to the Research group of E. D. Jemmis. 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 thequestions that are to be answered. Special emphasis is placed in weaving threads between problems in one area to another; between polymorphs of elements and their compounds, between organic and organometallic chemistry, amongst the chemistry of various main group elements; Bonding, Structure and Reactions across the Periodic Table of Elements. We place great importance in not only getting numbers as an answer to a problem, but also in finding out why the numbers turn out the way they do, based on overlap of orbitals, perturbation theory, and symmetry, and in devising transferable models.

The attempt by the Jemmis group is not just to get some calculations and a specific answer, nor to work in a contemporary area where many scientists work, but to develop general understanding of a transferable nature in a chosen area to help further the thought processes in chemistry. This has always led to applications in material science and biology. Majority of his former students work in material science or computaional drug design and molecular modelling.

Opportunities exist for students in doing research in computational chemistry in these areas in collaboration with other faculty members of IISc. These could have an experimental component as well. Students may contact me if interested.

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