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Planning

Week Mon. 30 Tue. 31 Wed. 01 Thu. 02 Fri. 03 List

‹ Thursday, June 2, 2022 ›

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20:00

›9:00 (1h)

Multireference Perturbation Theory: the n–electron valence state approach
Celestino Angeli

›10:00 (20min)

Can one learn something from a Fully Contracted approach?
Jean-Paul Malrieu

›10:20 (30min)

Coffee break

›10:50 (40min)

Evidence for low-lying correlated gapped states in strained graphene and graphenic 2D-COFs
Ibério de P. R. Moreira

›11:30 (40min)

Antiferromagnetic Exchange and Metal–Metal Bonding in Roussin's Black Sulfur and Selenium Salts
Daniel Santa Lucia

›12:10 (2h10)

Lunch

›14:20 (40min)

In silico chiroptical properties of organo-lanthanide complexes
Maxime Grasser

›15:00 (20min)

Magnetic behavior of encapsulated Single Molecules Magnets
Nelson David Arias Olivares

›15:20 (20min)

Molecular Orbital Descriptor Approach (MODA): A Machine Learning descriptor based on first principles to predict magnetic couplings in organic magnets
Raul Santiago

›15:40 (20min)

Using electronic structure methods to model Spin-Crossover processes in Inorganic Systems: From molecules to crystals
Jordi Cirera

›16:00 (30min)

Coffee break

›16:30 (40min)

Magnetic interactions with non-orthogonal configuration interaction
Coen de Graaf

›17:10 (1h)

Roundtable

›19:30 (1h)

Dinner

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