Wednesday, June 9
9:55- 10:00: Opening: Wolfgang Domcke and Nađa Došlić
10:00-11:30: Chair: Marko Cvitaš
10:00-10:45: Maxim F. Gelin
Novel methods in quantum dynamics and spectroscopy: (i) Hierarchical equations of motion for
momentum system-bath couplings and (ii) thermo-field dynamics tensor-train approach
10:45-11:30: Mario Barbatti
Simulation of Excitation by Sunlight in Mixed Quantum-Classical Dynamics
~ lunch break ~
14:00-15:30: Chair: Tomica Hrenar
14:00-14:45: Petr Slaviček
Non-adiabatic Semiclassical Simulations:
Focusing on What Really Matters
14:45-15:30: Fabrizio Santoro
Vibronic effects in the photophysics of complex systems. Mixed quantum classical schemes in combination with adiabatic and nonadiabatic approaches
Thursday, June 10
9:30 -10:50: Chair: Jovan Odavić
9:30-9:50: Weiwei Xie
Landau-Zener surface hopping algorithm for nonadiabatic dynamics in photoinduced reactions
9:50-10:10: Rajko Ćosić
Path Integral Monte Carlo Method in Photoabsorption Spectra
Calculations
10:10-10:30: Marin Sapunar
Analysis of electronic states across ensembles of nuclear configurations
10:30-10:50: Tomislav Begušić
Finite-temperature, anharmonicity, and Duschinsky effects on twodimensional
electronic spectra from ab initio thermo-field Gaussian
wavepacket dynamics
~ coffe break ~
11:20 -12:20: Chair: Luca Grisanti
11:20-11:40: David Picconi
Molecular photodynamics and its manifestation in UV-Vis and X-ray time-resolved spectra. Insights from quantum chemistry and quantum dynamic
11:40-12:00: Xiang Huang
Photocatalytic water splitting with heptazine by Landau-Zener surface hopping simulations
12:00-12:20: Mihael Eraković
Vibrational structure of asymmetric multi-well systems: a combined VCI and instanton
approach
~ lunch break ~
14:00-15:00: Chair: Aurora Ponzi
14:00-14:20: Antonio Prlj
Investigating in silico the sunlight-triggered excited-state dynamics of transient
atmospheric molecules
14:20-14:40: Sebastian Pios
Generation of hydrated electrons with visible light
14:40-15:00: Tomislav Piteša
Ab initio simulation of time-resolved photoelectron spectra : a case study of
B2u-excited pyrazine
~ coffe break ~
15:30-16:15: Chair: Ivan Ljubić
15:30-16:15: Piero Decleva
TRPES as probe in pump-probe experiments
16:15-16:20: Closing: Wolfgang Domcke and Nađa Došlić
