Tuesday, April 4, 2023
| TIME | EVENT |
|---|---|
| 9:00 - 9:30 | Welcome coffee |
| SESSION 1 | Chair: Pierre-Francois Loos |
| 9:30 - 10:00 | Giuseppe Barca - Accelerating quantum chemistry by orders of magnitude with the EXtreme-scale Electronic Structure System (EXESS) |
| 10:00 - 10:30 | Fabris Kossoski - State-specific configuration interaction for excited states |
| 10:30 - 11:00 | Coffee break |
| 11:00 - 11:30 | Emmanuel Giner - Bi-orthonormal framework and selected CI for transcorrelation |
| 11:30 - 12:00 | Gianluca Levi - Density functional calculations of excited states with orbital optimization using saddle point search methods |
| 12:00 - 12:30 | Joohno Lee - Variational Theory of Charge Excitations in Solids Coupled to Lattice Vibrations |
| 12:30 - 14:00 | Lunch break & Poster |
| SESSION 2 | Chair: Raul Quintero |
| 14:00 - 14:30 | Lucia Reining - About the use of model results to design functionals |
| 14:30 - 15.00 | Timothy Berkelbach - Excitations in solids with EOM-CCSD: Where do we stand? |
| 15:00 - 16:00 | Coffee break |
| 16:00 - 16:30 | Pina Romaniello - Photoemission spectroscopy from the three-body Green’s function |
| 16:30 - 17.00 | Xavier Blase - GW and Bethe-Salpeter calculations embedded in very large scale dielectric environment |
| 17:00 - 17.30 | Alexander Sokolov - New multireference approaches for electron correlation and spin–orbit coupling in excited states and spectra |
| 17:30 - 18:30 | Cocktail & Poster |
| 19:30 - 22:30 | Dinner |
Wednesday, April 5, 2023
| TIME | EVENT |
|---|---|
| 9:00 - 9:30 | Welcome coffee |
| SESSION 3 | Chair: Sara Giarrusso |
| 9:30 - 10:00 | Julien Toulouse - Two strategies for continuum excited states: Robin boundary conditions and semiclassical approximations |
| 10:00 - 10:30 | Carlos Mejuto Zaera - Self-consistency in GWΓ formalism leading to quasiparticle-quasiparticle couplings |
| 10:30 - 11:00 | Coffee break |
| 11:00 - 11:30 | Sandeep Sharma - Efficient hybrid DFT for periodic systems |
| 11:30 - 12:00 | Stefano Battaglia - New variants of the CASPT2 method |
| 12:00 - 12:30 | Denis Jacquemin - The QUEST database of ultra-accurate excited-state energies, oscillator strengths, dipoles, and geometries |
| 12:30 - 14:00 | Lunch break & Poster |
| SESSION 4 | Chair: Anthony Scemama |
| 14:00 - 14:30 | Claudia Filippi - Targeting excited states with quantum Monte Carlo |
| 14:30 - 15.00 | Eric Neuscamman - New developments in excited-state-specific correlation methods |
| 15:00 - 16:00 | Coffee break |
| 16:00 - 16:30 | George Booth - A fresh perspective on Green’s function methods |
| 16:30 - 17.00 | Andreea Filip - Quantum Monte Carlo Ideas for Near-Term Quantum Computing Algorithms |
| 17:00 - 17.30 | Emmanuel Fromager - Ensemble density-functional theory of electrons and nuclei |
| 17:30 - 18:30 | Cocktail & Poster |
| 19:30 - 22:30 | Dinner |
Thursday, April 6, 2023
| TIME | EVENT |
|---|---|
| 9:00 - 9:30 | Welcome coffee |
| SESSION 5 | Chair: Fabris Kossoski |
| 9:30 - 10:00 | Morgane Vacher - Non-adiabatic excited state dynamics |
| 10:00 - 10:30 | Thomas Jagau - Describing unbound electrons by complex-valued energies |
| 10:30 - 11:00 | Coffee break |
| 11:00 - 11:30 | Anthony Scemama - TREXIO: user-friendly I-O library for quantum chemists |
| 11:30 - 12:00 | Kasia Pernal - Excited state energy calculation with wavefunction-adiabatic-connection methods |
| 12:00 - 12:30 | Eduard Matito - How reliable are modern density functional approximations to simulate vibrational spectroscopies? |
| 12:30 - 14:00 | Lunch break & Poster |
| SESSION 6 | Chair: Michel Caffarel |
| 14:00 - 14:30 | Katharina Boguslawski - Targeting excited states with simplified coupled cluster methods |
| 14:30 - 15.00 | Alex Thom - Excited States from holomorphic NOCI |
| 15:00 - 16:00 | Coffee break |
| 16:00 - 16:30 | Joshua Hollett - On the two-electron nature of excited states |
| 16:30 - 17.00 | Tim Gould - Electronic structure of excited states from ensemble density functional theory |
| 17:00 - 17.30 | Peter Gill- Economical Models for Electron Densities |
| 17:30 - 18:30 | Good bye Cocktail |