University of Bath

Computational Chemistry: moving the laboratory to the computer

The University's annual David Parkin lecture will be delivered by Professor Vicente Moliner from the Department of Chemistry.

3 May 20174.15pm
3 May 20175.15pm
Computational Chemistry: moving the laboratory to the computer.
Vicente will talk about his research in the field of computational chemistry.

Visiting Professor, Vicente Moliner will give an overview of his work in the field of computational chemistry. He will look at the studies carried out in his laboratory and in collaboration with other research groups.

Computational Chemistry techniques have developed quickly during past years. Models based on the combination of Quantum Chemistry and classical Quantum Mechanics have been extensively applied to the study of enzyme catalysis, allowing knowledge of the reaction mechanisms of these complex but highly efficient bio-catalysts at the molecular level.

Merging these techniques with experimental methods has opened the door to the design of more potent and specific drugs, and to the generation of new environmental friendly catalysts to be applied in the pharmaceutical, food, and chemical industries.

David Parkin Visiting Professorships are awarded on an annual basis to help to support an outstanding academic with a permanent position at a non-UK university to spend a period of time up to 12 months, as a Visiting Professor at the University. As part of the award, the Visiting Professor is invited to present the University’s annual David Parkin Lecture.