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Multifield Computational Topology for Quantum Chemistry Visualisation
Title: Multifield Computational Topology for Quantum Chemistry Visualisation
DNr: NAISS 2025/22-870
Project Type: NAISS Small Compute
Principal Investigator: Petar Hristov <petar.hristov@liu.se>
Affiliation: Linköpings universitet
Duration: 2025-06-09 – 2026-07-01
Classification: 10201
Keywords:

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.