We are some research aspirants from different public and private universities in Bangladesh. Focusing on several (self-funded) research projects in the field of (1) Computational Chemistry and (2) Computer-Aided Drug Design and (3) Material / Nanomaterial Science.

In Computational Chemistry, we perform the following investigations;

1. Geometry optimization

2. Molecular orbital analysis

3. Atomic partial charge analysis

4. Electrostatic potential analysis

5. Hirshfeld surface analysis

6. Spectral characterization (FT-IR, Raman, VCD, NMR, UV-Vis)

In Computer-Aided Drug Design, we perform the following investigations;

1. Molecular docking simulation

2. Molecular dynamics simulation

3. Drug-drug, drug-protein, protein-protein interactions calculation

4. Pharmacological, biological, and toxicological analysis

In Material / Nanomaterial Science, we perform the following investigations;

1. Doping of nano-tube/sheet

2. Drug-nanotube interaction calculation

3. Bandgap calculation

4. Characterization