STC 2022HeidelbergProgramme
Award , Contributed Talk , Invited Speaker , Lecture
Sunday, 18th of September 2022
| Time [CET] |
Title | |
|---|---|---|
| 15:00 - 18:00 | Registration | |
| 18:00 - 19:00 |
Lorenz Cederbaum
Heidelberg University |
Evening Lecture |
| from 19:00 | Welcoming Reception |
Monday, 19th of September 2022
| Time [CET] |
Title | |
|---|---|---|
| 9:00 - 9:40 |
Patrick Norman
KTH Royal Institute of Technology |
Liouville-space response theory in the self-consistent field approximation |
| 09:40 - 10:00 |
Tim Neudecker
University of Bremen |
Simulating Molecules Under Hydrostatic Pressure |
| 10:00 - 10:20 |
Greta Heydenrych
Wiley |
Chemistry Europe: Open Access and DORA |
| 10:30 - 11:00 | Coffee Break | |
| 11:00 - 11:40 |
Shirin Faraji
Chemistry Europe Lecturer University of Groningen |
On-the-fly hybrid quantum/classical dynamics simulations of excited-state processes in complex environments |
| 11:40 - 12:00 |
Lena Bäuml
Ludwig-Maximilians-University Munich |
Observing the nuclear and electronic wavepacket dynamics in uracil via simulated X-ray absorption spectra |
| 12:00 - 12:20 |
Patrick Zobel
University of Vienna |
Simulating and Screening Photophysics of Transition-Metal Complexes |
| 12:30 - 14:00 | Lunch Break | |
| 14:00 - 14:40 |
Benjamin Helmich-Paris
Max-Planck-Institute for Coal Research |
CASSCF Methods for Ground- and Excited States: How the Hessian May Help You |
| 14:40 - 15:30 | Hückel Award | |
| 15:30 - 16:00 | Coffee Break | |
| 16:00 - 16:40 |
Alicia Palacios
Universidad Autónoma de Madrid |
XUV and X-Ray induced ultrafast electron dynamics in atoms and molecules |
| 16:40 - 17:00 |
Richard Beckmann
Ruhr University Bochum |
The Effect of Helium Microsolvation on Structure and Structural Correlation of Protonated Acetylene |
| 17:00 - 17:20 |
Arne Lüchow
RWTH Aachen University |
Many-Electron Probability Density Analysis as Tool for Analysis of Chemical Bonding |
| from 18:00 | Poster Session |
Tuesday, 20th of September 2022
| Time [CET] |
Title | |
|---|---|---|
| 9:00 - 9:40 | Hellmann Award | |
| 9:40 - 10:30 | Peyerimhoff Award | |
| 10:30 - 11:00 | Coffee Break | |
| 11:00 - 11:40 |
Martin Head-Gordon
University of California, Berkeley |
Density functional theory for simulating core spectroscopy: Problems, solutions and applications. |
| 11:40 - 12:00 |
Maren Podewitz
TU Vienna |
Building Better Models to Uncover The Reaction Dynamics of A Supramolecular Cu-calix[8]arene Catalyst with QM/MM MD |
| 12:00 - 12:20 |
James Green
Goethe-University Frankfurt |
Solvent Effects on Ultrafast Charge Transfer Population: Insights from the Quantum Dynamics of Guanine-Cytosine in Chloroform |
| 12:30 - 14:00 | Lunch Break | |
| 14:00 - 18:00 | Social Activities | |
| from 18:00 |
Conference Dinner Party
same venue |
Wednesday 21st of September 2022
| Time [CET] |
Title | |
|---|---|---|
| 9:00 - 9:40 |
Irene Burghardt
Goethe University Frankfurt |
Quantum Dynamical Simulations of Coherent Excitonic Processes and 2D Electronic Spectroscopy of Functional Organic Polymer Materials |
| 9:40 - 10:00 |
Thomas Schnappinger
Albanova University Centre, Stockholm University |
A non-adiabatic dynamics perspective on strongly coupled molecule-cavity systems |
| 10:00 - 10:20 |
Johann Mattiat
University of Zurich |
Spectroscopic simulations with real-time TDDFT – linear response and gauge dependence |
| 10:30 - 11:00 | Coffee Break | |
| 11:00 - 11:40 |
Spiridoula Matsika
Temple University |
Theoretical description of nonadiabatic events in photon and electron driven processes |
| 11:40 - 12:00 |
Christoph Bannwarth
RWTH Aachen University |
Approaching Photochemistry with Low-Cost Electronic Structure Theory |
| 12:00 - 12:20 |
Joern Manz
Freie Universität Berlin |
Effects of Nuclear Spins on Quantum Dynamics and Symmetry: A Case Study for Molecular Boron Rotors |
| 12:30 - 14:00 | Lunch Break | |
| 14:00 - 14:40 |
Todd Martinez
Stanford University |
Reaction Discovery for Ground and Excited States |
| 14:40 - 15:00 |
Denis Artiukhin
Freie Universität Berlin |
The Frozen-Density Embedding Diabatization Scheme: Recent Progress and New Directions |
| 15:00 - 15:20 |
Mickael Delcey
KTH Royal Institute of Technology |
Multiconfigurational simulations of X-ray spectra of transition metals |
| 15:30 - 16:00 | Coffee Break | |
| 16:00 - 16:40 |
Fabien Gatti
University of Paris-Saclay |
Quantum Dynamics with motions of large amplitude |
| 16:40 - 17:00 |
Anna Skitnevskaya
Heidelberg University |
Nonlocal electronic decay processes: the role of donor-acceptor interactions |
| 17:00 - 17:20 | AGTC Meeting | |
| from 18:00 | Poster Session |
Thursday, 22nd of September 2022
| Time [CET] |
Title | |
|---|---|---|
| 9:00 - 9:40 |
Philipp Marquetand
University of Vienna |
Machine learning and beyond – from ground-state wave functions to excited-state dynamics |
| 9:40 - 10:00 |
Jan-Michael Mewes
University of Bonn |
ROKS/PCM for the description of charge-transfer states in solution: Faster, more accurate, and more robust than TD-DFT |
| 10:00 - 10:20 |
Rhiannon Zarotiadis
ETH Zurich |
A nonadiabatic generalised-dividing-surface (NGD) instanton rate theory |
| 10:30 - 11:00 | Coffee Break | |
| 11:00 - 11:40 |
Henrik Larsson
University of California |
Tensor network states for computing vibrational and electronic states |
| 11:40 - 12:00 |
Christoph Schran
University of Cambridge |
Understanding complex aqueous systems with machine learning |
| 12:00 - 12:20 |
Caio O. da Silva
Federal University of ABC (UFABC) |
Newton’s Method for Hartree–Fock: Lagrange and Riemann |
| from 12:30 | Departure |
last updated: 14/09/2022