Planning
| Time |
Event |
(+)
|
|
14:00 - 17:30
|
Registration |
|
|
17:30 - 17:40
|
Introduction - Boris Le Guennic |
|
|
17:40 - 18:00
|
Simple Models & Accurate Simulations - Ria Broer |
|
|
18:00 - 19:00
|
Some thoughts on the future of quantum chemical software development and recent progress in multi-reference methods - Frank Neese |
|
|
19:00 - 20:30
|
Dinner |
|
| Time |
Event |
(+)
|
|
09:00 - 10:00
|
Disentangling ultrafast electronic and structural dynamics in photomagnetic materials - Eric Collet |
|
|
10:00 - 10:20
|
Organolanthanide complexes: ab initio electronic structure investigation and magnetic properties rationalization - Léo La Droitte |
|
|
10:20 - 10:50
|
Coffee break |
|
|
10:50 - 11:30
|
Magnetic properties of actinide complexes - Hélène Bolvin |
|
|
11:30 - 12:10
|
Towards a general and consistent evaluation of magnetic exchange couplings in KS-DFT - Grégoire David |
|
|
12:10 - 14:20
|
Lunch |
|
|
14:20 - 15:00
|
Physics of the Dzyaloshinskii-Moriya interaction - Nathalie Guihéry |
|
|
15:00 - 15:20
|
Impact of the electric field on magnetic parameters: disruptive Dzyaloshinskii-Moriya interaction - Barthélémy Pradines |
|
|
15:20 - 15:40
|
A photo-induced spin crossover based molecular switch and spin filter operating at room temperature - Nicolas Montenegro |
|
|
15:40 - 16:00
|
Many-Electron Tight Binding model applied to singlet fission - Aitor Sanchez |
|
|
16:00 - 16:30
|
Coffee break |
|
|
16:30 - 17:30
|
An experimental approach of the relaxation of the magnetic moments in lanthanide-based single-molecule magnets - Olivier Cador |
|
|
17:30 - 17:50
|
Including vibrational effects in MCD calculations - Nicolas Foglia |
|
|
17:50 - 18:10
|
Ab-Initio and ligand field analysis of structural variations of an air-stable single-ion magnet displaying magnetic blocking up to 4.0 K - Shashank Rao |
|
|
19:30 - 20:30
|
Dinner |
|
| Time |
Event |
(+)
|
|
09:00 - 10:00
|
High-Pressure tuning of magnetism and ferroelectricity in multiferroic mixed-anion cuprates - Xavier Rocquefelte |
|
|
10:00 - 10:20
|
Solid-state effects on the singlet-triplet energy gaps of switchable biradicals - Jordi Ribas |
|
|
10:20 - 10:50
|
Coffee break |
|
|
10:50 - 11:30
|
Magnetic Exchange and Valence Delocalization in a Mixed Valence [FeIIFeIIITe2]+ Complex: Insights From Theory and Interpretations of Magnetic and Spectroscopic Data - Mihail Atanasov |
|
|
11:30 - 12:10
|
The difficult exploration of a chemical utopia - Jean-Paul Malrieu |
|
|
12:10 - 15:00
|
Lunch |
|
|
15:00 - 19:00
|
Excursion - Cap d'Erquy - Fort la Latte |
|
|
19:30 - 20:30
|
Dinner |
|
| Time |
Event |
(+)
|
|
09:00 - 10:00
|
Multireference Perturbation Theory: the n–electron valence state approach - Celestino Angeli |
|
|
10:00 - 10:20
|
Can one learn something from a Fully Contracted approach? - Jean-Paul Malrieu |
|
|
10:20 - 10:50
|
Coffee break |
|
|
10:50 - 11:30
|
Evidence for low-lying correlated gapped states in strained graphene and graphenic 2D-COFs - Ibério de P. R. Moreira |
|
|
11:30 - 12:10
|
Antiferromagnetic Exchange and Metal–Metal Bonding in Roussin's Black Sulfur and Selenium Salts - Daniel Santa Lucia |
|
|
12:10 - 14:20
|
Lunch |
|
|
14:20 - 15:00
|
In silico chiroptical properties of organo-lanthanide complexes - Maxime Grasser |
|
|
15:00 - 15:20
|
Magnetic behavior of encapsulated Single Molecules Magnets - Nelson David Arias Olivares |
|
|
15:20 - 15:40
|
Molecular Orbital Descriptor Approach (MODA): A Machine Learning descriptor based on first principles to predict magnetic couplings in organic magnets - Raul Santiago |
|
|
15:40 - 16:00
|
Using electronic structure methods to model Spin-Crossover processes in Inorganic Systems: From molecules to crystals - Jordi Cirera |
|
|
16:00 - 16:30
|
Coffee break |
|
|
16:30 - 17:10
|
Magnetic interactions with non-orthogonal configuration interaction - Coen de Graaf |
|
|
17:10 - 18:10
|
Roundtable |
|
|
19:30 - 20:30
|
Dinner |
|
| Time |
Event |
(+)
|
|
09:00 - 09:20
|
Are the formal requirements of the many-body problem made obsolete by the fantastic progresses of our computational resources? - Jean-Paul Malrieu |
|
|
09:20 - 10:00
|
A pedagogical discussion of the size-consistency issue for selected configuration interaction methods - Vijay Gopal |
|
|
10:00 - 10:20
|
Building model Hamiltonians for solids - Léo Gaspard |
|
|
10:20 - 11:00
|
On the CAS explosion in polynuclear transition metal complexes - Rémi Maurice |
|
|
11:00 - 11:10
|
Concluding remarks - Boris Le Guennic |
|
|
12:00 - 12:30
|
Lunch box |
|
|
13:00 - 16:00
|
Participants departure |
|
|
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