Xia Kelin writes:
We are happy to announce the upcoming CECAM Flagship Workshop “Advancing simulation, analysis and prediction of complex chemical systems using modern chemical graph theory and computational topology“, CECAM-HQ-EPFL, Lausanne, Switzerland, July 16, 2025 – July 18, 2025.
The focus of this CECAM workshop will be to bring together computational chemists, materials scientists and biophysicists with leaders in the mathematics of graphs and computational topology. The workshop will educate these communities, foster collaboration and inspire development of both applied and fundamental computational methods in chemistry. We will focus upon each scale of information relevant to computational chemistry (from electrons to the mesoscale) and identify opportunities where graph theory and topology can help in method development and information transfer to accelerate interdisciplinary innovation.
Invited and contributed talks are welcome in the areas of: dynamic and time dependent phenomena, energy landscapes and sampling, graph structure and pattern identification, and topology and shape of data.
In addition to invited and contributed talks, there are two poster sessions for the workshop, with one being dedicated solely to new algorithms and software.
The Registration deadline is June 13, 2025.
Organisers
- Sana Bougueroua (University Evry Paris Saclay)
- Aurora Clark (University of Utah)
- Marie-Pierre Gaigeot (Université Evry Val D’Essonne)
- Augusto Gerolin (University of Ottawa)
- Kelin Xia (Nanyang Technological University)
Invited Speakers
- Herbert Edelsbrunner ( Institute of Science and Technology Austria )
- Henry Adams ( University of Florida )
- Mercedes Alfonso-Prieto ( Forschungszentrum Juelich )
- Ernesto Estrada ( Institute of Cross-Disciplinary Physics and Complexity (IFISC) In Palma de Mallorca )
- Michele Ceriotti ( EPFL )
- Lee Cronin ( University of Glasgow )
- Reidun Twarock ( University of York )
- David Wales ( Cambridge University )
- Nandini Ananth ( Cornell Univerity )
- Jessica Swanson ( University of Utah )