Duration:
18th June - 18th July 2025
Hours:
18:00 - 20:00 hours
Course Outline | ||||
Week | Software | Domain | Description | Proposed Dates and Time |
---|---|---|---|---|
Week 1 | GROMACS |
Computational Chemistry, Molecular Dynamics |
Used for simulating biomolecular systems, particularly proteins, lipids, and nucleic acids. |
18 th and 20th June, 2025 Timing: 18:00 – 20:00 hours |
Week 2 | Quantum ESPRESSO |
Computational Physics, Materials Science |
A suite for electronic-structure calculations and materials modelling using Density Functional Theory (DFT). |
25 th and 27th June, 2025 Timing: 18:00 – 20:00 hours |
Week 3 | OpenFOAM |
Computational Fluid Dynamics (CFD) |
Used for solving fluid dynamics and continuum mechanics problems in engineering and research. |
2 nd and 4th July, 2025 Timing: 18:00 – 20:00 hours |
Week 4 | LAMMPS |
Molecular Dynamics, Materials Science |
Used for modelling atomic-scale materials and molecular systems, including polymers and solid-state materials. |
9 th and 11th July, 2025 Timing: 18:00 – 20:00 hours |
Week 5 | NWChem |
Computational Chemistry, Quantum Chemistry |
A chemistry simulation package for electronic structure and molecular dynamics. |
16 th and 18th July, 2025 Timing: 18:00 – 20:00 hours |