Friday, 6 November 2026
08:45 | Join in |
09:00 | Welcome, Motivation & Introduction |
09:15 | Theoretical Overview of Computational Chemistry Pipelines |
10:30 | Molecular Modelling |
11:00 | Break |
11:15 | Performing Structural Minimisation and Quantum Chemical Computations on HPC |
12:45 | Breakdown of Accuracy / Performance of Algorithms used in the HPC Environment |
13:00 | End |