Computational Chemistry Laboratory allows the computational chemist to perform a comprehensive series of molecular indices/properties calculations and data analysis. Supercomputers are used by Computational chemists to find solutions to problems & to generate simulations that reduce enormous amounts of data which is otherwise very time consuming. Other important instruments include electronic structure methods, quantitative structure–activity relationships, cheminformatics, full statistical analysis & molecular dynamics simulations.
- Track 1-1 Theoretical chemistry
- Track 2-2 Molecular dynamics
- Track 3-3 Cheminformatics
- Track 4-4 Quantum mechanics
- Track 5-5 Dihydrogen cation
- Track 6-6 Electronic charge density
- Track 7-7 Spectroscopic