ML/Data-Based and Physics-Based Methods — talks given by postdocs, graduate and undergraduate students.
| Time | Speaker | Group | Title |
|---|---|---|---|
| 9:20 | Opening Remarks | ||
| 9:30 | Dr. Bhaskar Rana | Pavanello group | Learning the Electronic Structure of Excited States via the 1-RDM |
| 9:50 | Rishi Rao | Zhu Group | Machine Learning of Self-energies for Accelerated DMFT Calculations |
| 10:10 | Dr. Aniket Mandal | Pavanello group | QEpy: Quantum ESPRESSO in Python |
| 10:30 | Break | ||
| 11:00 | Meiyan Wang | Zhu group | From Semiconductors to Superconductors: A Data-Driven Pipeline for Exploring Complex Energy Landscapes |
| 11:20 | Jessica Martinez Bernal | Pavanello Group | Machine Learning the 2-RDM |
| 11:40 | Dr. Ezekiel Oyeniyi | Pavanello group · Zoom | Pseudopotentials for Orbital Free DFT |
| 12:00 | Lunch Break | ||
| Time | Speaker | Group | Title |
|---|---|---|---|
| 2:30 | Dr. Jack Taylor | Maitra group | Ground-to-excited state conical intersections in LR-TDDFT: Implications for nonadiabatic molecular dynamics |
| 2:50 | Anya Baranova | Maitra Group | Excited-State Densities from Linear-Response TDDFT |
| 3:10 | Dhyey Ray | Maitra group | The Application of Response-Reformulated TDDFT to Strong-Field Dynamics in Systems with Double Excitations |
| 3:30 | Break | ||
| 4:00 | Valeria Rios Vargas | Pavanello group | Orbital-Free TDDFT for Plasmonic Nanoparticles |
| 4:20 | Dr. Evaristo Villaseco | Maitra Group | Electronic Coherences in Molecules: The Nuclear Quantum Momentum as Hidden Agent |
| 4:40 | Open Discussion | ||