Organisers:
André-Marie Tremblay
Michel Côté
Antoine Georges
Gabi Kotliar
Olivier Parcollet
Sponsors:
| June 5 (arrival)
to June 17, 2022
Sherbrooke, Québec, Canada |
|
Monday June 6, 2022
| 8:15 |
P. Fournier,
A.-M. Tremblay | Welcome |
| 8:30 | A.-M. Tremblay | Short intro to the School. Quantum Materials |
| 9:00 |
M. Côté |
Introduction to DFT and Density Functionals |
| 10:00 |
BREAK |
| 10:30 |
A.-M. Tremblay | Correlations in electronic structure and their signatures |
| 11:30 |
X. Gonze |
Abinit code, part 1 |
| 12:00 |
LUNCH |
| 14:00 |
POSTER SESSION |
| 15:00 |
M. Côté,
X. Gonze |
Hands-on training: Abinit # 1 |
| 16:00 |
M. Côté,
X. Gonze |
Hands-on training: Abinit # 1 |
| 17:00 |
BREAK |
| 17:30 |
A.-M. Tremblay | Many-Body refresher: Second quantization |
| 18:15 | A.-M. Tremblay | Many-Body refresher: Hubbard model, Evolution operators, Green functions |
| 19:00 |
DINNER |
Tuesday June 7, 2022
| 8:30 |
A.-M. Tremblay | Many-Body Refresher: Spectral weight, Self-Energy |
| 10:00 |
BREAK |
| 10:30 |
A.-M. Tremblay | Many-Body Refresher: Coherent state functional integral |
| 12:00 |
LUNCH |
| 14:00 |
POSTER SESSION |
| 15:30 | X. Gonze | Abinit code, part 2 |
| 16:15 | M. Côté,
X. Gonze | Hands-on training: Abinit # 2 |
| 17:00 |
BREAK |
| 17:30 | M. Côté,
X. Gonze | Hands-on training: Abinit # 2 |
| 19:00 |
DINNER |
Wednesday June 8, 2022
| 8:30 |
A.-M. Tremblay | Many-Body refresher: Source fields, Luttinger Ward, GW |
| 10:00 |
BREAK |
| 10:30 | A.-M. Tremblay | Many-Body refresher: TPSC and other approaches |
| 12:00 |
LUNCH |
| 15:30 |
M. Côté,
X. Gonze |
Hands-on training: Abinit + Wannier90 |
| 17:00 |
BREAK |
| 17:30 |
M. Côté,
X. Gonze |
Hands-on training: Abinit + Wannier90 |
| 19:00 |
DINNER |
Thursday June 9, 2022
| 8:30 |
M. Ferrero | Introduction to Monte Carlo methods, Ergodicity, Detailed balance, biased sampling, variance estimate |
| 10:00 |
BREAK |
| 10:30 | M. Ferrero | Continuous-time Quantum Monte Carlo (strong coupling) / (weak coupling) |
| 12:00 |
LUNCH |
| 14:00 | N. Wentzel | Introduction to TRIQS |
| 15:30 | O. Parcollet,
M. Ferrero,
TRIQS Team | Hands-on training: TRIQS # 1 Green functions, Lindhard, TPSC |
| 17:00 |
BREAK |
| 17:30 | O. Parcollet,
M. Ferrero,
TRIQS Team | Hands-on training: TRIQS # 1 Green functions, Lindhard, TPSC |
| 19:00 |
DINNER |
Friday June 10, 2022
| 8:30 |
A. Georges | Dynamical Mean-Field Theory (DMFT) |
| 10:00 |
BREAK |
| 10:30 |
A. Georges |
Dynamical Mean-Field Theory (DMFT) |
| 12:00 |
LUNCH |
| 15:30 | O. Parcollet,
M. Ferrero,
TRIQS Team | Hands-on training: TRIQS # 2 DMFT for models, IPT, 2-orbital model |
| 17:00 |
BREAK |
| 17:30 | O. Parcollet,
M. Ferrero,
TRIQS Team | Hands-on training: TRIQS # 2 DMFT for models, IPT, 2-orbital model |
| 19:00 |
DINNER |
Weekend, no classes
Monday June 13, 2022
| 8:30 |
O. Yazyev | Spin-orbit interactions, topology and electronic structure |
| 10:00 |
BREAK |
| 10:30 |
H. Guo | Materials informatics |
| 12:00 |
LUNCH |
| 14:30 | N. Wentzel,
S. Beck,
A. Hampel |
Hands-on training: TRIQS # 3 Realistic DMFT with Wannier in TRIQS DFT tools |
| 17:00 |
BREAK |
| 17:30 | N. Wentzel,
S. Beck,
A. Hampel |
Hands-on training: TRIQS # 3 Realistic DMFT with Wannier in TRIQS DFT tools |
| 19:00 |
DINNER |
Tuesday June 14, 2022
| 8:30 |
G. Kotliar | Successes and challenges in the electronic structure of correlated materials: towards theoretical spectroscopy and materials design |
| 10:00 |
BREAK |
| 10:30 | O. Parcollet,
M. Ferrero,
etc. | Diagrammatic Monte Carlo : Introduction and real time |
| 12:00 |
LUNCH |
| 14:00 | K. Haule | Diagrammatic Monte Carlo : Coulomb gas |
| 15:30 |
BREAK |
| 16:00 | M. Côté,
O. Gingras | Hands-on training: Abinit + DFT + DMFT + Z2pack |
| 17:30 | M. Côté,
O. Gingras | Hands-on training: Abinit + DFT + DMFT + Z2pack |
| 19:00 |
DINNER |
Wednesday June 15, 2022
| 8:30 |
P. Werner | Introduction to nonequilibrium phenomena, nonequilibrium impurity solvers for DMFT |
| 10:00 |
BREAK |
| 10:30 | M. Eckstein | Langreth rules, Volterra integral equations, memory truncation |
| 12:00 |
LUNCH |
| 14:00 |
P. Werner,
O. Simard,
M. Eckstein,
M. Lysne |
Hands-on training: NESSi tutorial |
| 15:30 |
BREAK |
| 16:00 |
P. Werner,
O. Simard,
M. Eckstein,
M. Lysne |
Hands-on training: NESSi tutorial |
| 17:30 |
COFFEE BREAK & FREE TIME |
| 19:00 |
DINNER |
Thursday June 16, 2022
| 8:30 |
N. Lanata |
Quantum-embedding formulation of the GA/RISB equations |
| 10:30 | BREAK |
| 11:00 |
C. Melnick |
Quantum Embedding Methods: GPU Acceleration and Mutual Support |
| 12:00 |
LUNCH |
| 15:30 |
S. Choi |
From LDA+DMFT to LQSGW+DMFT and Full GW+DMFT: application to materials |
| 17:30 |
BREAK |
| 18:00 |
S. Choi |
Hands-on session on COMSUITE |
| 19:00 |
DINNER |
Friday June 17, 2022
| 8:30 |
FINAL EXAM |
| 11:30 |
DEPARTURE |
Notes
1. There are 30-minute breaks between lectures
2. Lunch is served at 12:00
3. Dinner is served at 19:00, except on the first nice day of the week when a BBQ will be served outside
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