TREX workshop on electronic structure methods for strong correlation - Agenda

>>Back to TREX workshop on electronic structure methods for strong correlation

Download the full programme here

18 April 2023, Day 1 Time in CEST
9:00 - 10:30 Session A: Lecture
Transcorrelated Hamiltonian methods
Full Configuration Interaction Quantum Monte Carlo
10:30 - 10:45 Coffe break
10:45 - 11:30 Session A: Lecture
Transcorrelated Hamiltonian methods
Full Configuration Interaction Quantum Monte Carlo
11:30 - 11:45 Coffee break
11:45 - 13:00 Session A
Tutorial: NECI
Transcorrelated Hamiltonian methods
Full Configuration Interaction Quantum Monte Carlo
13:00 - 14:30 Lunch break
14:30 - 16:00 Session A
Tutorial: NECI
Transcorrelated Hamiltonian methods
Full Configuration Interaction Quantum Monte Carlo
16:00 - 16:15 Coffee break
16:15 - 17:00 Session B: Lecture
CIPSI: selected configuration interaction
methods for ground and excited states
17:00 - 17:15 Coffee break
17:15 - 18:00 Session B: Lecture
CIPSI: selected configuration interaction
methods for ground and excited states
19 April 2023, Day 2 Time in CEST
9:00 - 09:45 Session B: Lecture
CIPSI: selected configuration interaction
methods for ground and excited states
09:45 - 10:00 Coffee break
10:00 - 11:30 Session B
Tutorial: Quantum Package
CIPSI: selected configuration interaction
methods for ground and excited states
11:30 - 11:45 Coffee break
11:45 - 13:00 Session B
Tutorial: Quantum Package
CIPSI: selected configuration interaction
methods for ground and excited states
13:00 - 14:30 Lunch break
14:30 - 15:15 Session C: Lecture
Density Matrix Renormalization Group
Symmetry-Adapted Perturbation Theory for excited states
15:15 - 15:30 Coffee break
15:30 - 16:15 Session C: Lecture
Density Matrix Renormalization Group
Symmetry-Adapted Perturbation Theory for excited states
16:15 - 16:30 Coffee break
16:30-17:15 Session C: Lecture
Density Matrix Renormalization Group
Symmetry-Adapted Perturbation Theory for excited states
19:00 Banquet
20 April 2023, Day 3 Time in CEST
9:00-10:30 Session C
Tutorial: GammCor & MOLMPS
Density Matrix Renormalization Group
Symmetry-Adapted Perturbation Theory for excited states
10:30-10:45 Coffee break
10:45-12:00 Session C
Tutorial: GammCor & MOLMPS
Density Matrix Renormalization Group
Symmetry-Adapted Perturbation Theory for excited states
12:00 - 12:15 Coffee break
12:15 - 13:00 Session D: Lecture
Machine-learning potentials
13:00 - 14:30 Lunch break
14:30 - 15:15 Session D
Tutorial group: ML
Machine-learning potentials
15:15 - 15:30 Coffee break
15:30 - 16:15 Session D
Tutorial group: ML
Machine-learning potentials
18 April 2023, Day 1 Time in CEST
9:00 - 10:30 Session A: Lecture
Transcorrelated Hamiltonian methods
Full Configuration Interaction Quantum Monte Carlo
10:30 - 10:45 Coffe break
10:45 - 11:30 Session A: Lecture
Transcorrelated Hamiltonian methods
Full Configuration Interaction Quantum Monte Carlo
11:30 - 11:45 Coffee break
11:45 - 13:00 Session A
Tutorial: NECI
Transcorrelated Hamiltonian methods
Full Configuration Interaction Quantum Monte Carlo
13:00 - 14:30 Lunch break
14:30 - 16:00 Session A
Tutorial: NECI
Transcorrelated Hamiltonian methods
Full Configuration Interaction Quantum Monte Carlo
16:00 - 16:15 Coffee break
16:15 - 17:00 Session B: Lecture
CIPSI: selected configuration interaction
methods for ground and excited states
17:00 - 17:15 Coffee break
17:15 - 18:00 Session B: Lecture
CIPSI: selected configuration interaction
methods for ground and excited states
19 April 2023, Day 2 Time in CEST
9:00 - 09:45 Session B: Lecture
CIPSI: selected configuration interaction
methods for ground and excited states
09:45 - 10:00 Coffee break
10:00 - 11:30 Session B
Tutorial: Quantum Package
CIPSI: selected configuration interaction
methods for ground and excited states
11:30 - 11:45 Coffee break
11:45 - 13:00 Session B
Tutorial: Quantum Package
CIPSI: selected configuration interaction
methods for ground and excited states
13:00 - 14:30 Lunch break
14:30 - 15:15 Session C: Lecture
Density Matrix Renormalization Group
Symmetry-Adapted Perturbation Theory for excited states
15:15 - 15:30 Coffee break
15:30 - 16:15 Session C: Lecture
Density Matrix Renormalization Group
Symmetry-Adapted Perturbation Theory for excited states
16:15 - 16:30 Coffee break
16:30-17:15 Session C: Lecture
Density Matrix Renormalization Group
Symmetry-Adapted Perturbation Theory for excited states
19:00 Banquet
20 April 2023, Day 3 Time in CEST
9:00-10:30 Session C:
Tutorial: GammCor & MOLMPS
Density Matrix Renormalization Group
Symmetry-Adapted Perturbation Theory for excited states
10:30-10:45 Coffee break
10:45-12:00 Session C:
Tutorial: GammCor & MOLMPS
Density Matrix Renormalization Group
Symmetry-Adapted Perturbation Theory for excited states
12:00 - 12:15 Coffee break
12:15 - 13:00 Session D: Lecture
Machine-learning potentials
13:00 - 14:30 Lunch break
14:30 - 15:15 Session D
Tutorial group 4: ML
Machine-learning potentials
15:15 - 15:30 Coffee break
15:30 - 16:15 Session D
Tutorial group 4: ML
Machine-learning potentials