JTMS 2025 : Journées "Théorie, Modélisation et Simulation"

10:00 - 10:30 (30min)

Welcome and coffee

10:30 - 11:10 (40min)

Pauline Colinet - FMM methods for speeding up the evaluation of Coulombic interactions in QM/MM type calculations

https://jtms2025.sciencesconf.org/data/program/abstract_Pauline_Colinet.pdf

11:10 - 11:30 (20min)

Josep Alberola Boloix - Accelerating electronic resonance characterization through Gaussian Process Regression

https://jtms2025.sciencesconf.org/data/program/669864.pdf

11:30 - 11:50 (20min)

Raphaël Vangheluwe - Accelerating the Structure Exploration of Diverse Bi–Pt Nanoclusters via Physics-Informed Machine Learning Potential and Particle Swarm Optimization

https://jtms2025.sciencesconf.org/data/program/669736.pdf

11:50 - 12:10 (20min)

Roberto Tabacco - Atomistic understanding of melting mechanisms in core-shell nanoparticles

https://jtms2025.sciencesconf.org/data/program/667051.pdf

12:10 - 13:40 (1h30)

Lunch

13:40 - 14:20 (40min)

Matthieu Saubanère - Quantum Subspace Methods for Electronic Structure Calculations

https://jtms2025.sciencesconf.org/data/program/abstract_Matthieu_Saubanere.pdf

14:20 - 14:40 (20min)

Jeremy Morere - Catalan numbers, Dyck language, and second quantization: An algorithm-oriented representation of second quantization chains

https://jtms2025.sciencesconf.org/data/program/669814.pdf

14:40 - 15:00 (20min)

Bastien Courbière - Chemical reactivity from a combined Conceptual DFT and ELF topology approach

15:00 - 15:30 (30min)

Coffee break

15:30 - 15:50 (20min)

Raphaël Rullan - Comparing non-periodic and periodic TD-DFT calculations for inorganic minerals

https://jtms2025.sciencesconf.org/data/program/665631.pdf

15:50 - 16:10 (20min)

Pierre Rouanet - Design of Astatine(I) chelates for applications in targeted alpha therapy

https://jtms2025.sciencesconf.org/data/program/667133.pdf

16:10 - 16:30 (20min)

Mathieu Gascoin - Modeling chiroptical phenomena in lanthanide complexes: from Circularly Polarized Luminescence to Magneto-Chiral Dichroism

https://jtms2025.sciencesconf.org/data/program/669118.pdf

16:30 - 17:30 (1h)

Table ronde - Discussion sur les concours et recrutements

17:30 - 19:30 (2h)

Poster and Refreshment

Planning