Orientation session by Annecy Liddell on June 3, 2024: Zoom recording and PDF slides. The slides also contain information on MFA and software requirements.
WEL: Welch Building https://maps.app.goo.gl/oTGnPmr6fmD4rvCZ9
GLT: Gary L. Thomas Energy Engineering Building https://maps.app.goo.gl/46KkgHMrRGSzTYhD7
POB: Peter O'Donnell Building https://maps.app.goo.gl/HXNyD446UfvjUW5r5
AHD: Almetris Duren Residence Hall: https://maps.app.goo.gl/MRWxUNEyZsKH6Uvm8
| Day | Time | Activity | Location | Instructor | Chair | Zoom Chair |
|---|---|---|---|---|---|---|
| Sunday 9 June | 15:00-17:00 | Welcome Reception | Almetris Duren Residence Hall | |||
| Monday 10 June | 08:15-08:45 | Breakfast + Registration | WEL 2.306 | |||
| 08:50:09:00 | Introductory remarks and logistics [pdf] | GLT 5.104 | Giustino | |||
| | 09:00-10:00 | Lecture: Intro to electron-phonon physics and school topics [pdf] - [video] | GLT 5.104 | Giustino | Margine | Poncé |
| | 10:00-11:00 | Lecture: Density functional perturbation theory [pdf] - [video] | GLT 5.104 | Giannozzi | Margine | Poncé |
| | 11:00-11:30 | Coffee break | GLT atrium | | ||
| | 11:30-12:30 | Lecture: Wannier functions [pdf] - [video] | GLT 5.104 | Marzari | Margine | Poncé |
| | 12:30-13:45 | Lunch | WEL 2.306 | |||
| 13:45-14:00 | Intro to Quantum ESPRESSO [pdf] | WEL 1.316 | Giannozzi | |||
| 14:00-16:00 | Hands-on tutorial: Quantum ESPRESSO [pdf, files] | WEL 1.316 | Giannozzi | |||
| 16:00-16:30 | Coffee break | WEL 2.306 | ||||
| | 16:30-18:30 | Poster Session and refreshments | POB 6.102 | | ||
| Tuesday 11 June | 08:20-08:50 | Breakfast | WEL 2.306 | |||
| | 09:00-10:00 | Lecture: The Wannier Function Software Ecosystem for Materials Simulations [pdf] - [video] | GLT 5.104 | Marrazzo | Poncé | Margine |
| | 10:00-11:00 | Lecture: Many-body theory of electron-phonon interactions [pdf] - [video] | GLT 5.104 | Giustino | Poncé | Margine |
| | 11:00-11:15 | Coffee break | GLT atrium | | ||
| | 11:15-11:30 | Intro to hands-on tutorial [pdf] | WEL 1.316 | Marrazzo | ||
| | 11:30-13:00 | Hands-on tutorial: Interpolation of band structures [pdf, files] | WEL 1.316 | Marrazzo | ||
| | 13:00-14:15 | Lunch | WEL 2.306 | |||
| 14:15-14:30 | Intro to EPW [pdf] | WEL 1.316 | Tiwari | |||
| 14:30-16:00 | Hands-on tutorial: Interpolation of electron-phonon matrix elements [pdf, files] | WEL 1.316 | Lafuente | |||
| 16:00-16:15 | Coffee Break | WEL 2.306 | ||||
| 16:15-18:15 | Workshop: Mentorship and Research funding | WEL 1.316 | Campitelli & Holley | |||
| | | | | |||
| Wednesday 12 June | 08:20-8:50 | Breakfast | WEL 2.306 | |||
| 09:00-10:00 | Lecture: Electron transport [pdf] - [video] | GLT 5.104 | Poncé | Li | Lafuente | |
| | 10:00-11:00 | Lecture: Superconductivity [pdf] - [video] | GLT 5.104 | Margine | Li | Lafuente |
| | 11:00-11:15 | Coffee break | GLT Atrium | | ||
| | 11:15-12:15 | Lecture: Phonon-assisted optical processes [pdf] - [video] | GLT 5.104 | Kioupakis | Li | Lafuente |
| | 12:15-13:30 | Lunch | WEL 2.306 | |||
| 13:30-13:45 | Intro to hands-on tutorial [pdf] | WEL 1.316 | Poncé | |||
| 13:45-15:15 | Hands-on tutorial: Calculations of mobility [pdf, files] | WEL 1.316 | Poncé | |||
| 15:15-15:30 | Intro to hands-on tutorial [pdf] | WEL 1.316 | Ha | |||
| 15:30-16:00 | Hands-on tutorial: Calculations of mobility with impurity scattering [pdf, files] | WEL 1.316 | Ha | |||
| 16:00-16:15 | Coffee break | WEL 2.306 | ||||
| 16:15-16:30 | Intro to hands-on tutorial [pdf] | WEL 2.306 | Margine | |||
| 16:30-18:00 | Hands-on tutorial: Calculations of superconducting Tc [pdf, files] | WEL 2.306 | Mori | |||
| | | | | |||
| Thursday 13 June | 08:20-08:50 | Breakfast | WEL 2.306 | |||
| 09:00-10:00 | Lecture: GW and Bethe-Salpeter Equation [pdf] - [video] | GLT 5.104 | Louie | Kioupakis | Li | |
| 10:00-11:00 | Lecture: Introduction to polarons [pdf] - [video] | GLT 5.104 | Giustino | Kioupakis | Li | |
| 11:00-11:15 | Coffee break | GLT atrium | ||||
| 11:15-11:30 | Intro to tutorial [pdf] | WEL 1.316 | Zhang | |||
| 11:30-12:30 | Hands-on tutorial: Phonon-assisted absorption [pdf, files] | WEL 1.316 | Zhang | |||
| 12:30-13:45 | Lunch | WEL 2.306 | ||||
| 13:45-14:00 | Intro to tutorial [pdf] | WEL 1.316 | Deslippe | |||
| 14:00-15:30 | Hands-on tutorial: GW band structures and excitons [pdf, files] | WEL 1.316 | Del Ben | |||
| 15:30-15:45 | Coffee break | WEL 2.306 | ||||
| 15:45-18:00 | Visit to Texas Advanced Computing Center (pick up at San Jacinto & 23rd) | |||||
| | 18:00-21:00 | Social Dinner at Scholz Garten | Pick up at TACC | | ||
| 21:00 | Bus back to Duren Hall | Pick up at Scholz | ||||
| Friday 14 June | 08:20-08:50 | Breakfast | WEL 2.306 | |||
| 09:00-10:00 | Lecture: Special displacement method [pdf] - [video] | GLT 5.104 | Zacharias | Tiwari | Poncé | |
| 10:00-11:00 | Lecture: High-performance computing at TACC [pdf] - [video] | GLT 5.104 | Stanzione | Tiwari | Poncé | |
| 11:00-11:15 | Coffee break | GLT atrium | ||||
| 11:15-12:15 | Lecture: GW perturbation theory [pdf] - [video] | GLT 5.104 | Li | Tiwari | Kioupakis | |
| 12:15-12:45 | Lecture: Excitonic polarons [pdf] - [video] | GLT 5.104 | Dai | Tiwari | Kioupakis | |
| 12:45-14:00 | Lunch | WEL 2.306 | ||||
| 14:00:14:15 | Intro to tutorial [pdf] | WEL 1.316 | Lafuente | |||
| 14:15-15:45 | Hands-on tutorial: Polarons [pdf, files] | WEL 1.316 | Lafuente | |||
| 15:45-16:00 | Coffee break | WEL 2.306 | ||||
| 16:00-16:15 | Intro to tutorial [pdf] | WEL 1.316 | Zacharias | |||
| 16:15-17:45 | Hands-on tutorial: Special displacement method [pdf, files] | WEL 1.316 | Zacharias | |||
| Saturday 15 June | 09:00-09:30 | Breakfast | WEL 2.306 | |||
| 09:30-11:30 | Hackathon: Quantum ESPRESSO and GPUs [pdf] - [pdf, files] | WEL 1.316 | Giannozzi | |||
| 11:30-11:45 | Coffee break | WEL 2.306 | ||||
| 11:45-12:15 | Lecture: Automated Wannierizations [pdf]- [video] | WEL 1.316 | Qiao | Poncé | Margine | |
| 12:15-12:45 | Lecture: Wannier function perturbation theory [pdf] - [video] | WEL 1.316 | Lihm | Poncé | Margine | |
| 12:45-13:15 | Lecture: Quasi-degenerate perturbation theory [pdf] - [video] | WEL 1.316 | Tiwari | Poncé | Margine | |
| 13:15-14:15 | Lunch | WEL 2.306 | ||||
| 14:15-15:15 | Hands-on tutorial: Automated Wannierizations [pdf, files] | WEL 1.316 | Qiao | |||
| 15:15-16:15 | Hands-on tutorial: WFPT [pdf, files] | WEL 1.316 | Lihm | |||
| 16:15-16:30 | Coffee break | WEL 2.306 | ||||
| 16:30-17:30 | Hands-on tutorial: QDPT [pdf, files] | WEL 1.316 | Tiwari | |||
| Sunday 16 June | 09:00-09:30 | Breakfast | WEL 2.306 | |||
| 09:30-1100 | Hackathon: BerkeleGW [pdf] - [pdf, files] | WEL 1.316 | Del Ben | |||
| 11:00-11:15 | Coffee break | WEL 2.306 | ||||
| 11:15-13:15 | Automated workflows with EPWpy [pdf] | WEL 1.316 | Tiwari & Cucco | |||
| 13:15-13:30 | Closing remarks | WEL 1.316 | ||||
| 13:00- | School ends, lunch provided |