Molecular Modelling and Computational Chemistry

This facility is available to all special degree undergraduate students of the Department of Chemistry, University of Colombo. The facility has approximately 20 computers for research and other work. In addition ten computers are dedicated for students who follow the new special degree in Computational Chemistry. We are the first in Sri Lanka to introduce Molecular Modelling and Theoretical Chemistry into the undergraduate curriculum. This was started in 2000 and has expanded over the years and senior staff is involved with extensive research programmes on Molecular Modelling and Computational Chemistry. Internet facilities are provided for students who can access free software and databases. The facility is used both for research and teaching purposes.

Research Area:

1. Gas adsorption to metal surfaces

2. Non-linear optical properties of donor-acceptor molecular systems.

3. Investigations of organometallic systems

4. Computational drug discovery programme (Protein-drug interactions)

5. Aromatic interactions and supramolecular chemistry

6. Investigations of redox potentials of organic and organometallic compounds

7. Alkane conformations

8. Chemical Education

9. Bioinformatics

10. Investigations of organic reaction mechanisms

11. Gas phase reaction dynamics

Available Software for Research and Teaching

1. Gaussian and Gauss View

2. Gamess

3. Spartan Pro

4. Titan

5. BioMedCAChe

6. Mopac

7. Hyperchem Pro

Department of Chemistry, Faculty of Science, University of Colombo,

 P.O. Box 1490, Colombo 03, Sri Lanka.

Tel : (9411) 2583105-7, Ext.225  Fax : (9411) 2503148, (9411) 2587239 

This website designed and maintained by Prof. K. M. Nalin de Silva.

Last Updated September 2007