Seminar Program
Monday, 29 September 2025
- 09:00 – Registration, get together, coffee
- 09:25 – Leticia González – Welcome and Introduction
Chair: Leticia González
- 09:30–10:30 – Igor Schapiro (HUJ) – “Electric-field jumps trigger a protein response preceding the ultrafast photoisomerization”
- 10:30–11:30 – Eduarda Sangiogo Gil (UV) – “A Framework for Simulating Excited-State Dynamics in Molecular Systems Using Quantum Computers”
- 11:30–12:30 – Eberhard K. U. Gross (HUJ) – “The concept of exact forces on the nuclei and the role of the Berry connection”
13:00 – Lunch
Chair: Markus Oppel
- 14:30–15:30 – Sebastian Mai (UV) – “SHARC 4: How a new, hierarchical interface framework enables multiscale simulations and effective workflows”
- 15:30–16:30 – Roi Baer (HUJ) – “Dynamics of open electronic systems”
- 16:30–17:00 – Coffee break
- 17:00–18:00 – Johannes Dietschreit (UV) – “Accelerating non-adiabatic molecular dynamics simulations”
19:30 – Dinner
Tuesday, 30 September 2025
Chair: Igor Schapiro
- 09:00–10:00 – Tamar Stein (HUJ) – “Molecular Dissociation and Error Decomposition in Density Functional Theory: An Ensemble Perspective”
- 10:00–11:00 – Georg Kresse (UV) – “Auxiliary Field Quantum Monte-Carlo: recent advances and applications to solids”
- 11:00–11:30 – Coffee break
- 11:30–12:30 – Christoph Dellago (UV) – “Finding the needle in the haystack: machine learning for rare event simulations”
13:00 – Lunch
- 14:30 – Round table to identify possible collaborations
- 16:00 – Conclusions, actions to be taken, and final discussion
- 17:00 – End