Multifield Computational Topology for Quantum Chemistry Visualisation
Dnr:
NAISS 2025/22-870
Type:
NAISS Small Compute
Principal Investigator:
Petar Hristov
Affiliation:
Linköpings universitet
Start Date:
2025-06-09
End Date:
2026-07-01
Primary Classification:
10201: Computer Sciences
Webpage:
Allocation
- Centre Storage at NSC: 500 GiB
- Tetralith at NSC: 20 x 1000 core-h/month
Abstract
The purpose of this project is to experiment with novel methods from computational topology for the purpose of visualising quantum chemistry data. In particular a topological data structure known as the Reeb space. We will develop novel algorithms to compute the Reeb space.