Development of Computational Chemistry

In 1888, J. L. Gay-Lussac mentioned that “we are perhaps not far remote from the time when we shall be able to submit the bulk of chemical phenomena to calculation”.

John A Pople, the Nobel Prize winner in Chemistry 1998, mentioned that “…we celebrate the fact that mathematics has invaded chemistry, that by means of theoretical calculations we can predict a large variety of chemical phenomena…”.

Today, computational chemistry has become extremely useful and it is widely used in teaching and industrial research. Computational chemistry is giving rise to a wide range of possibilities due to explosive increase in computer power and software capabilities.

Before the year 2000, computational chemistry was not known at the Department of Chemistry, Faculty of Science, University of Mauritius. However, to date, computational chemistry is performing satisfactorily both at teaching and research levels.

This website is maintained to provide information which is relevant to the Computational Chemistry Group of the University of Mauritius.


Award of Best Mauritian Scientist

I was awarded the "Best Mauritian Scientist" in 2016.

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Award ceremony



Since October 2022, I hold a UNESCO Chair in Computational Chemistry



Since October 2023, I am one of the associate editors of the Journal of Molecular Modeling published by Springer.