DAY 1
Agenda |
Monday, 12 July 2021 |
|
09:00 - 9:30 |
Quantum Monte Carlo Summer School welcome & keynote presentations
Keynote Speaker: Sandro Sorella – TREX WP2 Leader, Professor, SISSA |
|
09:30 - 10:30 |
Lecture: Probability and Sampling - |
| 10:30 - 10:50 | Virtual coffee break |
| 10:50 - 12:30 | Lecture: Monte Carlo Sampling and Markov chains, error analysis
Speaker: Michele Casula – TREX WP5 Leader, Researcher, CNRS |
| 12:30 - 13:30 | Lunch break |
| 13:30 - 14:30 | Lecture: Introduction to TurboRVB (workflow + DFT part)
Speaker: Kosuke Nakano – Professor, SISSA |
| 14:30 - 16:30 | Hands-on: Installation, DFT wavefunction for H2, C2, graphene, H2@graphene
Tutors: Michele Casula – TREX WP5 Leader, Researcher, CNRS;Sandro Sorella – TREX WP2 Leader, Professor, SISSA; Kosuke Nakano – Professor, SISSA |
DAY 2
Agenda |
Tuesday, 13 July 2021 |
|
09:00 - 10:30 |
Lecture: VMC + Wave functions (Jastrow correlated AGP, Paffian) Speaker: Sandro Sorella – TREX WP2 Leader, Professsor, SISSA |
| 10:30 - 10:50 | Virtual coffee break |
| 10:50 - 12:30 | Lecture: Wave functions (cont'd)
Speaker: Sandro Sorella – TREX WP2 Leader, Professsor, SISSA |
| 12:30 - 13:30 | Lunch break |
| 13:30 - 14:30 | Lecture: Variational Monte Carlo
Speaker: Kosuke Nakano – Professor, SISSA |
| 14:30 - 16:30 | Hands-on: Installation, DFT wavefunction for H2, C2, graphene, H2@graphene
Tutors: Michele Casula – TREX WP5 Leader, Researcher, CNRS;Sandro Sorella – TREX WP2 Leader, Professor, SISSA; Kosuke Nakano – Professor, SISSA |
DAY 3
Agenda |
Wednesday, 14 July 2021 |
| 09:00 - 10:30 | Lecture: Wavefunction optimization |
| 10:30 - 10:50 | Virtual coffee break |
| 10:50 - 12:30 | Lecture: Forces in Quantum Monte Carlo
Speaker: Sandro Sorella – TREX WP2 Leader, Professor, SISSA |
| 12:30 - 13:30 | Lunch break |
| 13:30 - 14:30 | Wavefunction optimization
Speaker: Kosuke Nakano – Professor, SISSA |
| 14:30 - 16:30 | Hands-on: Installation, DFT wavefunction for H2, C2, graphene, H2@graphene
Tutors: Michele Casula – TREX WP5 Leader, Researcher, CNRS; Sandro Sorella – TREX WP2 Leader, Professor, SISSA; Kosuke Nakano – Professor, SISSA |
DAY 4
Agenda |
Thursday, 15 July 2021 |
| 09:00 - 10:30 | Lecture: Diffusion Monte Carlo |
| 10:30 - 10:50 | Virtual coffee break |
| 10:50 - 12:30 | Lecture: Diffusion Monte Carlo (cont’d)
Speaker: Michele Casula – TREX WP5 Leader, Researcher, CNRS |
| 12:30 - 13:30 | Lunch break |
| 13:30 - 14:30 | Lecture: Diffusion Monte Carlo (cont’d)
Speaker: Kosuke Nakano – Professor, SISSA |
| 14:30 - 16:30 | Hands-on: Installation, DFT wavefunction for H2, C2, graphene, H2@graphene
Tutors: Michele Casula – TREX WP5 Leader, Researcher, CNRS; Sandro Sorella – TREX WP2 Leader, Professor, SISSA; Kosuke Nakano – Professor, SISSA |
DAY 5
Agenda |
Friday, 16 July 2021 |
| 09:00 - 10:30 | Presentation: Advanced topics & recent applications
Speakers: Michele Casula – TREX WP5 Leader, Researcher, CNRS; Sandro Sorella – TREX WP2 Leader, Professsor, SISSA; Kosuke Nakano – Professor, SISSA |
| 10:30 - 10:40 | TREX e-School participant photo - Turn your cameras on please! |
| 10:40 - 10:50 | Virtual coffee break |
| 10:50 - 12:30 | Concluding remarks
Speaker: Michele Casula – TREX WP5 Leader, Researcher, CNRS |
DAY 1
Agenda |
Monday, 12 July 2021 |
| 09:00 - 9:30 | Quantum Monte Carlo Summer School welcome & keynote presentations
Keynote Speaker: Sandro Sorella – TREX WP2 Leader, Professor, SISSA |
| 9:30 - 10:30 | Lecture: Probability and Sampling - Download the presentatio |
| 10:30 - 10:50 | Virtual coffee break |
| 10:50 - 12:30 | Lecture: Monte Carlo Sampling and Markov chains, error analysis
Speaker: Michele Casula – TREX WP5 Leader, Researcher, CNRS |
| 12:30 - 13:30 | Lunch break |
| 13:30 - 14:30 | Lecture: Introduction to TurboRVB (workflow + DFT part)
Speaker:Kosuke Nakano – Professor, SISSA |
| 14:30 - 16:30 | Hands-on: Installation, DFT wavefunction for H2, C2, graphene, H2@graphene
Tutors: Michele Casula – TREX WP5 Leader, Researcher, CNRS; Sandro Sorella – TREX WP2 Leader, Professsor, SISSA; Kosuke Nakano – Professor, SISSA |
DAY 2
Agenda |
Tuesday, 13 July 2021 |
| 09:00 - 10:30 | Lecture: VMC + Wave functions (Jastrow correlated AGP, Paffian)
Speaker: Sandro Sorella – TREX WP2 Leader, Professsor, SISSA |
| 10:30 - 10:50 | Virtual coffee break |
| 10:50 - 12:30 | Lecture: Wave functions (cont'd)
Speaker: Sandro Sorella – TREX WP2 Leader, Professsor, SISSA |
| 12:30 - 13:30 | Lunch break |
| 13:30 - 14:30 | Lecture: Variational Monte Carlo
Speaker: Kosuke Nakano – Professor, SISSA |
| 14:30 - 16:30 | Hands-on: Installation, DFT wavefunction for H2, C2, graphene, H2@graphene
Tutors: Michele Casula – TREX WP5 Leader, Researcher, CNRS; Sandro Sorella – TREX WP2 Leader, Professsor, SISSA; Kosuke Nakano – Professor, SISSA |
DAY 3
Agenda |
Wednesday, 14 July 2021 |
| 09:00 - 10:30 | Lecture: Wavefunction optimization
Speaker: Sandro Sorella – TREX WP2 Leader, Professsor, SISSA |
| 10:30 - 10:50 | Virtual coffee break |
| 10:50 - 12:30 | Lecture: Forces in Quantum Monte Carlo
Speaker: Sandro Sorella – TREX WP2 Leader, Professor, SISSA |
| 12:30 - 13:30 | Lunch break |
| 13:30 - 14:30 | Wavefunction optimization
Speaker: Kosuke Nakano – Professor, SISSA |
| 14:30 - 16:30 | Hands-on: Installation, DFT wavefunction for H2, C2, graphene, H2@graphene
Tutors: Michele Casula – TREX WP5 Leader, Researcher, CNRS; Sandro Sorella – TREX WP2 Leader, Professsor, SISSA; Kosuke Nakano – Professor, SISSA |
DAY 4
Agenda |
Thursday, 15 July 2021 |
| 09:00 - 10:30 | Lecture: Diffusion Monte Carlo |
| 10:30 - 10:50 | Virtual coffee break |
| 10:50 - 12:30 | Lecture: Diffusion Monte Carlo (cont’d)
Speaker: Michele Casula – TREX WP5 Leader, Researcher, CNRS |
| 12:30 - 13:30 | Lunch break |
| 13:30 - 14:30 | Lecture: Diffusion Monte Carlo (cont’d)
Speaker: Kosuke Nakano – Professor, SISSA |
| 14:30 - 16:30 | Hands-on: Installation, DFT wavefunction for H2, C2, graphene, H2@graphene
Tutors: Michele Casula – TREX WP5 Leader, Researcher, CNRS; Sandro Sorella – TREX WP2 Leader, Professsor, SISSA; Kosuke Nakano – Professor, SISSA |
DAY 5
Agenda |
Friday, 16 July 2021 |
| 09:00 - 10:30 | Presentation: Advanced topics & recent applications
Speakers: Michele Casula – TREX WP5 Leader, Researcher, CNRS; Sandro Sorella – TREX WP2 Leader, Professsor, SISSA; Kosuke Nakano – Professor, SISSA |
| 10:30 - 10:40 | TREX e-School participant photo - Turn your cameras on please! |
| 10:40 - 10:50 | Virtual coffee break |
| 10:50 - 12:30 | Concluding remarks
Speaker: Michele Casula – TREX WP5 Leader, Researcher, CNRS |