| DAY 1, 4 July | |
|---|---|
| 9:00 - 9:30 | TREX School on QMC with TurboRVB Welcome & Keynote presentation Speaker: Sandro Sorella |
| 9:30 - 10:30 | Lecture: Probability and Sampling Speaker: Michele Casula |
| 10:30 - 10:50 | Coffee break |
| 10:50 - 12:30 | Lecture: Monte Carlo Sampling and Markov chains, error analysis Speaker: Michele Casula |
| 12:30 - 13:30 | Lunch break |
| 13:30 - 15:00 | Poster Flash Presentation (2 min per attendee) |
| 15:00 - 16:00 | Lecture: Introduction to TurboRVB (workflow + DFT part) Speaker: Kosuke Nakano |
| 16:00 - 17:00 | Hands-on: Installation of TurboRVB and Turbo-genius, applications for several systems on open (molecules) or periodic boundary conditions (bulk properties) : DFT initialization with built-in TurboRVB code. Tutors: Sandro Sorella, Kosuke Nakano, Oto Kohulak, Abhishek Kedhar, Andrea Tirellu, Giacomo Tenti (SISSA), Michele Casula, Tommaso Morresi, Abhiroop Lahiri (CNRS/PARIS) |
| 17:00 - 19:00 | POSTER SESSION & Cocktail gathering |
| DAY 2, 5 July | |
|---|---|
| 09:00 - 10:30 | Lecture: VMC + Wave functions (Jastrow correlated AGP, Paffian) Speaker: Sandro Sorella, SISSA |
| 10:30 - 10:50 | Coffee break |
| 10:50 - 12:30 | Lecture: Wave functions (cont'd) Speaker: Sandro Sorella |
| 12:30 - 13:30 | Lunch break |
| 13:30 - 14:30 | Lecture: Variational Monte Carlo Speaker: Kosuke Nakano |
| 14:30 - 15:00 | Coffee break |
| 15:00 - 17:00 | Hands-on: QMC applications for several systems on open (molecules) or periodic boundary conditions (bulk properties): the simplest path apply QMC to DFT initial wavefunction, i.e. Slater determinant. Tutors: Sandro Sorella, Kosuke Nakano, Oto Kohulak, Abhishek Kedhar, Andrea Tirellu, Giacomo Tenti (SISSA), Michele Casula, Tommaso Morresi, Abhiroop Lahiri (CNRS/PARIS) |
| DAY 3, 6 July | |
|---|---|
| 09:00 - 10:30 | Lecture: Wavefunction optimization Speaker: Sandro Sorella, SISSA |
| 10:30 - 10:50 | Coffee break |
| 10:50 - 12:30 | Lecture: Forces in Quantum Monte Carlo Speaker: Sandro Sorella |
| 12:30 - 13:30 | Lunch break |
| 13:30 - 14:30 | Wavefunction optimization Speaker: Kosuke Nakano |
| 14:30 - 15:00 | Coffee break |
| 15:00 - 17:00 | Hands-on: Hands-on: QMC applications with many body wavefunctions for several systems on open (molecules) or periodic boundary conditions (bulk properties): beyond the standard DFT ansatz. Tutors: Sandro Sorella, Kosuke Nakano, Oto Kohulak, Abhishek Kedhar, Andrea Tirellu, Giacomo Tenti (SISSA), Michele Casula, Tommaso Morresi, Abhiroop Lahiri (CNRS/PARIS) |
| 19:30 - 22:00 | Dinner |
| DAY 4, 7 July | |
|---|---|
| 09:00 - 10:30 | Lecture: Diffusion Monte Carlo Speaker: Michele Casula |
| 10:30 - 10:50 | Coffee break |
| 10:50 - 12:30 | Lecture: Diffusion Monte Carlo (cont’d) Speaker: Michele Casula |
| 12:30 - 13:30 | Lunch break |
| 13:30 - 14:30 | Lecture: Diffusion Monte Carlo (cont’d) Speaker: Kosuke Nakano |
| 14:30 - 15:00 | Coffee break |
| 15:00 - 17:00 | Hands-on: QMC applications with many body wavefunctions for several systems on open (molecules) or periodic boundary conditions (bulk properties): beyond the standard DFT ansatz. Tutors: Sandro Sorella, Kosuke Nakano, Oto Kohulak, Abhishek Kedhar, Andrea Tirellu, Giacomo Tenti (SISSA), Michele Casula, Tommaso Morresi, Abhiroop Lahiri (CNRS/PARIS) |
| DAY 5, 8 July | |
|---|---|
| 09:00 - 10:45 | Presentation: Advanced topics & recent applications Speaker: Michele Casula |
| 10:45 - 11:00 | Coffee break |
| 11:00 - 11:15 | TREX e-School participant photo taking |
| 11:15 - 11:30 | Poster Awarding |
| 11:30 - 12:00 | Concluding remarks Speaker: Sandro Sorella |
| DAY 1, 4 July | |
|---|---|
| 9:00 - 9:30 | TREX School on QMC with TurboRVB Welcome & Keynote presentation Speaker: Sandro Sorella |
| 9:30 - 10:30 | Lecture: Probability and Sampling Speaker: Michele Casula |
| 10:30 - 10:50 | Coffee break |
| 10:50 - 12:30 | Lecture: Monte Carlo Sampling and Markov chains, error analysis Speaker: Michele Casula |
| 12:30 - 13:30 | Lunch break |
| 13:30 - 15:00 | Poster Flash Presentation (2 min per attendee) |
| 15:00 - 16:00 | Lecture: Introduction to TurboRVB (workflow + DFT part) Speaker: Kosuke Nakano |
| 16:00 - 17:00 | Hands-on: Installation of TurboRVB and Turbo-genius, applications for several systems on open (molecules) or periodic boundary conditions (bulk properties) : DFT initialization with built-in TurboRVB code. Tutors: Sandro Sorella, Kosuke Nakano, Oto Kohulak, Abhishek Kedhar, Andrea Tirellu, Giacomo Tenti (SISSA), Michele Casula, Tommaso Morresi, Abhiroop Lahiri (CNRS/PARIS) |
| 17:00 - 19:00 | POSTER SESSION & Cocktail gathering |
| DAY 2, 5 July | |
|---|---|
| 09:00 - 10:30 | Lecture: VMC + Wave functions (Jastrow correlated AGP, Paffian) Speaker: Sandro Sorella, SISSA |
| 10:30 - 10:50 | Coffee break |
| 10:50 - 12:30 | Lecture: Wave functions (cont'd) Speaker: Sandro Sorella |
| 12:30 - 13:30 | Lunch break |
| 13:30 - 14:30 | Lecture: Variational Monte Carlo Speaker: Kosuke Nakano |
| 14:30 - 15:00 | Coffee break |
| 15:00 - 17:00 | Hands-on: QMC applications for several systems on open (molecules) or periodic boundary conditions (bulk properties): the simplest path apply QMC to DFT initial wavefunction, i.e. Slater determinant. Tutors: Sandro Sorella, Kosuke Nakano, Oto Kohulak, Abhishek Kedhar, Andrea Tirellu, Giacomo Tenti (SISSA), Michele Casula, Tommaso Morresi, Abhiroop Lahiri (CNRS/PARIS) |
| DAY 3, 6 July | |
|---|---|
| 09:00 - 10:30 | Lecture: Wavefunction optimization Speaker: Sandro Sorella, SISSA |
| 10:30 - 10:50 | Coffee break |
| 10:50 - 12:30 | Lecture: Forces in Quantum Monte Carlo Speaker: Sandro Sorella |
| 12:30 - 13:30 | Lunch break |
| 13:30 - 14:30 | Wavefunction optimization Speaker: Kosuke Nakano |
| 14:30 - 15:00 | Coffee break |
| 15:00 - 17:00 | Hands-on: Hands-on: QMC applications with many body wavefunctions for several systems on open (molecules) or periodic boundary conditions (bulk properties): beyond the standard DFT ansatz. Tutors: Sandro Sorella, Kosuke Nakano, Oto Kohulak, Abhishek Kedhar, Andrea Tirellu, Giacomo Tenti (SISSA), Michele Casula, Tommaso Morresi, Abhiroop Lahiri (CNRS/PARIS) |
| 19:30 - 22:00 | Dinner |
| DAY 4, 7 July | |
|---|---|
| 09:00 - 10:30 | Lecture: Diffusion Monte Carlo Speaker: Michele Casula |
| 10:30 - 10:50 | Coffee break |
| 10:50 - 12:30 | Lecture: Diffusion Monte Carlo (cont’d) Speaker: Michele Casula |
| 12:30 - 13:30 | Lunch break |
| 13:30 - 14:30 | Lecture: Diffusion Monte Carlo (cont’d) Speaker: Kosuke Nakano |
| 14:30 - 15:00 | Coffee break |
| 15:00 - 17:00 | Hands-on: QMC applications with many body wavefunctions for several systems on open (molecules) or periodic boundary conditions (bulk properties): beyond the standard DFT ansatz. Tutors: Sandro Sorella, Kosuke Nakano, Oto Kohulak, Abhishek Kedhar, Andrea Tirellu, Giacomo Tenti (SISSA), Michele Casula, Tommaso Morresi, Abhiroop Lahiri (CNRS/PARIS) |
| DAY 5, 8 July | |
|---|---|
| 09:00 - 10:45 | Presentation: Advanced topics & recent applications Speaker: Michele Casula |
| 10:45 - 11:00 | Coffee break |
| 11:00 - 11:15 | TREX e-School participant photo taking |
| 11:15 - 11:30 | Poster Awarding |
| 11:30 - 12:00 | Concluding remarks Speaker: Sandro Sorella |