Schedule/Short Program:

STC2026_ScheduleDownload

Book of Abstracts (Including Long Program):

STC2026_Book_of_AbstractsDownload
Conference Program

Monday, September 14

10:00–13:40
Registration
13:45–14:00
Opening Ceremony
Session 1 – Chair: Alexander Sax
14:00–14:40
I1 David Clary — University of Oxford, United Kingdom
Schrödinger in Graz
14:40–15:00
15:00–15:20
C2 Georg Jansen — University Duisburg-Essen, Germany
Reformulation of intermolecular perturbation theory using imaginary time
15:20–15:50
Coffee Break
Session 2 – Chair: Tillmann Klamroth
15:50–16:30
16:30–16:50
C3 Sebastian Mai — University of Vienna, Austria
Excited-state dynamics using the SHARC4 package
16:50–17:10
C4 Michael von Domaros — Philipps-Universität Marburg, Germany
From Biased Trajectories to Local Mobility: Residence Times as a Route to Diffusivity
17:10–17:30
C5 Tom Frömbgen — University of Bonn, Germany & EPFL, Switzerland
A Multifidelity Monte Carlo Approach for Simulating the Diffusion Coefficient of Water
17:30–19:30
Break
19:30–22:00

Tuesday, September 15

Session 3 – Chair: Shirin Faraji
09:00–09:40
09:40–10:00
10:00–10:20
C7 Somayeh Ahmadkhani — Freie Universität Berlin, Germany
Dipole-Renormalized Reservoirs for Adaptive Open-QM/MM Simulations of Liquid Water
10:20–10:40
10:40–11:10
Coffee Break
Session 4 – Chair: Oliver Kühn
11:10–11:50
I4 Alexandre Tkatchenko — University of Luxembourg, Luxembourg
How Atoms Interact Within Molecules
11:50–12:10
12:10–12:30
C10 Jan Meisner — Heinrich Heine University Düsseldorf, Germany
Reaction Discovery in Periodic Systems
12:30–14:00
Lunch
Session 5 – Chair: Doreen Mollenhauer
14:00–14:40
14:40–15:00
C11 Karin Fink — Karlsruher Institut für Technologie, Germany
Quantum chemical calculations on surface adsorption
15:00–15:20
C12 Christopher Penschke — University of Potsdam, Germany
Water splitting at two-dimensional carbon-based materials
15:20–15:50
Coffee Break
Session 6 – Chair: Maren Podewitz
15:50–16:10
16:10–16:30
Sigrid Peyerimhoff Award
16:30–17:00
A1 Lukas Hasecke — University of Göttingen, Germany
Development of Low-Order Scaling Multicomponent Methods
17:00–17:30
A2 Julia Liebert — Princeton University, USA
Quantum Information Theoretical Approach to Functional Theories
17:30–19:30
Break
19:30–22:00

Wednesday, September 16

Session 7 – Chair: Carmen Herrmann
09:00–09:40
09:40–10:00
C15 David Picconi — Heinrich Heine University Düsseldorf, Germany
Photodynamics of multi-mode multi-state molecular systems coupled to a dissipative environment
10:00–10:20
C16 Johan Runeson — University of Freiburg, Germany
A simple way to deal with decoherence in trajectory surface hopping
10:20–10:40
10:40–11:10
Coffee Break
Session 8 – Chair: Ralf Tonner-Zech
11:10–11:50
11:50–12:10
C18 Rafał Szabla — Wroclaw University of Science and Technology, Poland
Quantifying photoinduced electron transfer in RNA and DNA
12:10–12:30
12:30–14:00
Lunch
14:00–15:20
Erich Hückel Award: Wolfgang Domcke and Jörn Manz
15:20–15:50
Coffee Break
15:50–16:30
Hans G.A. Hellmann Award
16:30–17:30
AGTC Meeting
17:30–19:30
Break
19:30–22:00

Thursday, September 17

Session 9 – Chair: Tim Neudecker
09:00–09:40
I8 Dominika Zgid — University of Michigan, USA
Relativistic GW for solids and molecules
09:40–10:00
C20 Fred Hamprecht — Heidelberg University, Germany
Orbital-free DFT is becoming practical
10:00–10:20
C21 Julien Steffen — Friedrich-Alexander-University Erlangen-Nürnberg, Germany
Self-Consistent Fine-Tuning of Machine Learning Interatomic Potentials by Targeted Exploration of Configuration Space
10:20–10:40
10:40–11:10
Coffee Break
Session 10 – Chair: Andreas Dreuw
11:10–11:50
I9 Michele Ceriotti — EPFL, Switzerland
Let them learn: AI models that master materials physics
11:50–12:10
12:10–12:30
12:30–14:00
Lunch
14:00–19:30
Excursions
19:30–22:00
Conference Dinner

Friday, September 18

Session 11 – Chair: Thorsten Klüner
09:00–09:40
I10 Beate Paulus — Freie Universität Berlin, Germany
Molecule-2D heterostructures – still a challenge for computational chemistry
09:40–10:00
C25 Marek Sierka — Friedrich Schiller University Jena, Germany
Watching Excitons Move: Real-Time and Linear-Response TDDFT for Periodic Systems in TURBOMOLE
10:00–10:20
10:20–10:40
C27 Christel Marian — HHU Düsseldorf, Germany
Spin–orbit Coupling of TDDFT Amplitudes: Left or Right?
10:40–11:10
Coffee Break
Session 12 – Chair: Robert Berger
11:10–11:50
I11 Bernd Meyer — Friedrich-Alexander-Universität Erlangen-Nürnberg, Germany
Accelerated Materials Discovery with Machine-Learning and DFT
11:50–12:10
C28 Alexander Gorfer — Fritz Haber Institute of the MPS, Berlin, Germany
Super-Resolution for Real-Time Electronic Structure Theory in Complex Systems
12:10–12:30
C29 Stephanie Lambie — Max Planck Institute for Solid State Research, Germany
The Subtleties of Calculating Non-Covalent Interactions with Wavefunction Based Methods
12:30–12:45
Poster Prizes and Closing
14:10–22:00
(After STC Event)