STC 2022HeidelbergSpeakers & Talks
Opening Lecture
| Title of Lecture | ||
|---|---|---|
 |
Lorenz Cederbaum Heidelberg University |
Evening Lecture |
Invited Speakers
| Title of Talk | ||
|---|---|---|
 |
Patrick Norman KTH Royal Institute of Technology |
Liouville-space response theory in the self-consistent field approximation |
 |
Fabien Gatti University of Paris-Saclay |
Quantum Dynamics with motions of large amplitude |
 |
Benjamin Helmich-Paris Max-Planck-Institute for Coal Research |
CASSCF Methods for Ground- and Excited States: How the Hessian May Help You |
 |
Alicia Palacios Universidad Autónoma de Madrid |
XUV and X-Ray induced ultrafast electron dynamics in atoms and molecules |
 |
Martin Head-Gordon University of California, Berkeley |
Density functional theory for simulating core spectroscopy: Problems, solutions and applications. |
 |
Irene Burghardt Goethe University Frankfurt |
Quantum Dynamical Simulations of Coherent Excitonic Processes and 2D Electronic Spectroscopy of Functional Organic Polymer Materials |
 |
Spiridoula Matsika Temple University |
Theoretical description of nonadiabatic events in photon and electron driven processes |
 |
Todd Martinez Stanford University |
Reaction Discovery for Ground and Excited States |
 |
Shirin Faraji University of Groningen |
On-the-fly hybrid quantum/classical dynamics simulations of excited-state processes in complex environments |
 |
Phillipp Marquetand University of Vienna |
Machine learning and beyond – from ground-state wave functions to excited-state dynamics |
 |
Henrik Larsson University of California |
Tensor network states for computing vibrational and electronic states |
Contributed Talks
All talks have been selected.
| Title of Talk | |
|---|---|
| Tim Neudecker | Simulating Molecules Under Hydrostatic Pressure |
| Lena Bäuml | Observing the nuclear and electronic wavepacket dynamics in uracil via simulated X-ray absorption spectra |
| Patrick Zobel | Simulating and Screening Photophysics of Transition-Metal Complexes |
| Richard Beckmann | The Effect of Helium Microsolvation on Structure and Structural Correlation of Protonated Acetylene |
| Arne Lüchow | Many-Electron Probability Density Analysis as Tool for Analysis of Chemical Bonding |
| Maren Podewitz | Building Better Models to Uncover The Reaction Dynamics of A Supramolecular Cu-calix[8]arene Catalyst with QM/MM MD |
| James Green | Solvent Effects on Ultrafast Charge Transfer Population: Insights from the Quantum Dynamics of Guanine-Cytosine in Chloroform |
| Thomas Schnappinger | A non-adiabatic dynamics perspective on strongly coupled molecule-cavity systems |
| Johann Mattiat | Spectroscopic simulations with real-time TDDFT – linear response and gauge dependence |
| Christoph Bannwarth | Approaching Photochemistry with Low-Cost Electronic Structure Theory |
| Joern Manz | Effects of Nuclear Spins on Quantum Dynamics and Symmetry: A Case Study for Molecular Boron Rotors |
| Denis Artiukhin | The Frozen-Density Embedding Diabatization Scheme: Recent Progress and New Directions |
| Mickael Delcey | Multiconfigurational simulations of X-ray spectra of transition metals |
| Anna Skitnevskaya | Nonlocal electronic decay processes: the role of donor-acceptor interactions |
| Jan-Michael Mewes | ROKS/PCM for the description of charge-transfer states in solution: Faster, more accurate, and more robust than TD-DFT |
| Rhiannon A. Zarotiadis | A nonadiabatic generalised-dividing-surface (NGD) instanton rate theory |
| Christoph Schran | Understanding complex aqueous systems with machine learning |
| Caio O. da Silva | Newton’s Method for Hartree–Fock: Lagrange and Riemann |