16.07. (Physics Seminar): Dr. Mariana Rossi, CFEL Rostock
Machine Learning for Electronic Structure Properties
07.05. (Physics Seminar): Lorenz Dettmann, Universität Rostock
Bridging time and length scales for simulations of heterogeneous macromolecular systems through coarse graining
2023
12.12. (Theory Seminar): Prof. Sebastian Fernandez-Alberti, Universidad Nacional de Quilmes (ARG)
Vibrational funnels, multiple pathways, and coherences during energy transfer of organic chromophores
05.12. (Theory Seminar): Dr. Ioan-Bogdan Magdău, University of Newcastle (UK)
Machine Learning the Ab Initio Accuracy: Application to Battery Materials
16.06. (Theory Seminar): Prof. Bernd Engels, Universität Würzburg
Accurate prediction of Absorption Spectra of Organic Semiconductor thin Film Using First-Principles Quantum Chemical Methods
16.06. (Theory Seminar): Prof. Robert Berger, Universität Marburg
Fundamental Physics With Highly Charged Molecules
02.02. (Colloquium): Prof. Axel Groß, Universität Ulm
Batteries of the Future Addressed by First Principles Simulations
31.01. (Theory Seminar): Dr. Hossam Elgabarty, University of Paderborn
THz Dynamics and Polarization fo Water and Aqueous Ionic Solutions
17.01. (Theory Seminar): Dr. Steffen Wolf, University of Freiburg
Langevin-based coarse-graining of molecular dynamics into free energies and friction profiles
2022
29.11. (Theory Seminar): Dr. Fulu Zheng, University of Bremen
Modelling of Quantum Dynamics in Large-Scale Open Quantum Systems With Davydov Ansvätze
20.10. (Colloquium): Prof. Jianshu Cao, MIT
Quantum Coherence in Light-harvesting Energy Transfer
14.04. (Colloquium): Prof. Frank Noé, Freie Universität Berlin
Artificial Intelligence for Molecular Physics
25.01. (Theory Seminar): Dr. Alexander Eisfeld, MPI for the
Physics of Complex Systems, Dresden
Near-field optical spectroscopy of molecular assemblies
20.01. (Colloquium): Prof. Tonu Pullerits, Lund University
Photo-excitation dynamics in perovskite nanostructures
2021
07.12. (Theory Seminar): Dr. Bruno Cabral Tenorio, Chemical Department, Danisch Technical University
Multi-reference Approaches to Auger and Double-Core Hole Spectra
16.11. (Theory Seminar): Prof. John Herbert, Ohio State University, Columbus (OH)
Eliminating Spurious Charge-Transfer States in Condensed-Phase TDDFT
24.06. (Colloquium): Prof. Michael Thoss, Universität Freiburg
Quantum dynamics in molecular systems: Theory and application to photoinduced processes
17.06. (Colloquium): Prof. Majed Chergui, Ecole Polytechnique Fédérale de Lausanne
Charge carrier dynamics in perovskites and transition metal oxides
11.05. (Theory Seminar): Prof. Leeor Kronik, Weizmann Institute, Jerusalem
Electronic and optical excitations from screened range-separated hybrid density functional theory
04.05. (Theory Seminar): Dr. Phillip Marquetand, Universität Wien
Machine learning for nonadiabatic dynamics simulations
26.01. (Theory Seminar): Prof. Doran Bennett, Southern Methodist University, Dallas
Mesoscale quantum dynamics in molecular aggregates
07.01. (Colloquium): Prof. Thomas Heine, TU Dresden
Two-dimensional Topological Polymers
2020
14.01. (Theory Seminar): Vladeslav Kochetov, Universität Rostock
Non-equilibrium dynamics in core-excited molecular states
15.10. (GdCh Colloquium): Olga Bokareva, Universität Rostock
Range-separated density functionals tuned for photoexcited transition metal complexes
22.10. (GdCh Colloquium): Ashour Ahmed, Universität Rostock
Computer simulations at the interface between chemistry, physics and soil science
2019
19.11. (Theory Seminar): Prof. Viktor L. Sukhorukov, Southern Federal University Rostov-on-Don
Many-electron Effects in Photoionization of Atoms and Simple Molecules by VUV and X-ray
06.11. (Group Seminar): Dr. Matthias Berg, Helmholtz Zentrum Berlin
Wavepacket Golden Rule Treatment of Interparticle Coulombic Decay in Paired Quantum Dots
28.05. (Theory Seminar): Alejandro Somoza, University of Ulm
Dissipation-assisted Matrix factorization for Vibronic Networks
09.05. (Colloquium): Prof. Fernando Martín, Universidad Autónoma de Madrid
Imaging and Controlling Electron Dynamics in Atoms and Molecules
30.04. (Theory Seminar): Dr. Ludger Inhester, CFEL-DESY Theory Division, Hamburg
Ionization Dynamics of Molecules Triggered by Ultra-Intense Hard X-rays
16.04. (Theory Seminar): Prof. Emmanuel Fromager, Universite de Strasbourg
Unified formulation of the fundamental and optical gap problems in density-functional theory for ensembles
22.01. (Theory Seminar): Dr. Annika Bande, Helmholtz Zentrum Berlin
Pushing the Limits of Resonance Decays With Electron Dynamics
2018
13.12. (Colloquium - Chemistry + Physics): Prof. Markus Reiher, ETH Zürich
New Directions for Computational Chemistry in the 21st Century
11.12. (Theory Seminar): Prasanth B. Ganta, Universität Rostock
Ab Initio Simulations of P-Compounds at Diaspore Mineral Surfaces
06.11. (Theory Seminar): Dr. Joachim Seibt, Charles University Prague
Treatment of Herzberg-Teller and Non-Condon effects in optical spectra with ''Hierarchical Equations of Motion'' (HEOM)
30.10. (Theory Seminar): Dr. Alberto Baiardi, ETH Zürich
DMRG-based methods for strong electronic and vibrational correlations
21.06. (Graduate's Colloquium): Marco Schröter, Universität Rostock
Insights in energy transfer and relaxation processes in molecular systems using polarization controlled two-dimensional electronic spectroscopy
16.06. (Samstagsuni): Oliver Kühn, Universität Rostock
Quantenphysik trifft Biologie. Von Zugvögeln, Hundenasen und grünen Blättern
07.06. (Graduate's Colloquium): Gilbert Grell, Universität Rostock
Resonant Auger Emission in a Quantum Chemistry Framework: The Neon Atoms
31.05. (Graduate's Colloquium): Lukas Wittenbecher, Lund Universityk
Ultrafast Time-resolved Photoemission Electron Microscopy of Semiconductor Nanowires
23.01. Theory Seminar): Dr. Daniel Shapiro-Finkelstein, Lund University
From Scattering to Dissipation: 50 Years of Fano Interferences
11.01. (Graduate's Colloquium): Gilbert Grell, Universität Rostock
X-Ray Photoelectron Spectroscopy: Computational Challenges and Perspectives
09.01. (Theory Seminar): Jan Schulze, Universität Rostock
High-dimensional Quantum Dynamics: MCTDH Theory and Applications to Excitation Energy Transfer Processes
2017
14.11. (Theory Seminar): Prof. Patrick Norman, KTH Royal Institute of Technology Stockholm, Response theory techniques to address
X-ray spectroscopies
09.11. (Colloquium): Dr. Martin Beye, DESY Hamburg, Towards stimulated soft X-ray emission spectroscopy for materials science
02.11. (Graduate's Colloquium): Marco Schröter, Institut für Physik, Universität Rostock Excitonic coupling and excitation energy transfer in the LH2 complex of Allochromatium Vinosum
15.05. (Research Seminar): M. Schröter, Lund University Energy Transfer within the LH2 Complex of Allochromatium Vinosum investigated by Electronic Two-Dimensional Spectroscopy
09.05. (Theory Seminar): Prof. J. Richardson, ETH Zürich Nonadiabatic Ring-polymer Molecular Dynamics
25.04. (Theory Seminar): Prof. F. Agostini, University Paris-Sud Dynamics Through a Conical Intersection: The Exact Factroization Perspective
26.01. (Colloquium): Prof. A. Dreuw, Universität Heidelberg Excited electronic states in large molecules: a challenge to electronic structure theory
17.01. (Theory Seminar): Dr. Lorenzo Stella, Queen's University Belfast Coupling a finite system to a structured thermal bath by means of the Generalised Langevin Equation
2016
07.07. (Colloquium): Dr. Sergey Bokarev, Universität Rostock Soft X-ray spectroscopy of transition metal compounds: A theoretical perspective
07.07. (Research Seminar): Dr. Matyas Papai, Technical University of Denmark, Copenhagen Controlling the photoexcited decay of Fe(II)-N-heterocyclic carbene compounds through structural modifications
05.07. (Theory Seminar): Dr. Simona Scheit, Universität Heidelberg Nuclear dynamics in multiple electronic decays of highly excited molecular states
23.06. (Graduate's Colloquium): Sven Karsten, Institut für Physik, Universität Rostock Nuclear dynamical correlation effects in X-ray spectroscopy from a time-domain perspective
16.06. (Colloquium): Dr. Bernd Winter, Helmholtz-Zentrum Berlin Relaxation Processes in Core-Level Ionized Aqueous Solution: Entanglement of Electronic and Nuclear Dynamics
21.04. (Graduate's Colloquium): Fabian Gottwald, Institut für Physik, Universität Rostock Semiclassical Wigner Propagation for Including Quantum Effects in Vibrational Spectra
26.01. (Theory Seminar): Dr. Jörg Megow, Universität Potsdam Calculating optical spectra of molecular aggregates: treatment of dispersive excitation energy shifts
21.01. (Graduate's Colloquium): Marco Schröter, Institut für Physik, Universität Rostock Dissipative exciton dynamics in light-harvesting complexes – developing methods and models to understand a primary step of photosynthesis
19.01. (Theory Seminar): Dr. Jean Christophe Tremblay, Freie Universität Berlin Ultrafast electron dynamics in nanostructures from an atomistic configuration interaction perspective
14.01. (Graduate's Colloquium): Huihui Wang, Institut für Physik, Universität Rostock Simulation of non-equilibrium electronic and spin-state dynamics in transition metal complexes
2015
15.12. (Theory Seminar): Sven Karsten, Institut für Physik, Universität Rostock Theoretical soft X-ray spectroscopy: A time domain approach
30.06. (Theory seminar): Prof. Thomas Körzdörfer, Universität Potsdam Vibrationally resolved UPS spectra from first principles
2014
26.02. (Theory seminar): Kaoru Yamazaki, Department of Chemistry, Tohoku University Sendai Two-step Femtosecond Explosion of Highly Charged C60q+ (q=20-60)
08.04. (Theory seminar): Dr. Michael Odelius, Department of Physics, University of Stockholm Hydrogen Bonds Breaking the Symmetry of Electronic States in Solution
10.04. (Colloquium): Prof. Villy Sundström, Chemical Physics, Lund University Solar Light to Electrons and Fuel – The Fundamental Processes
23.04. (Theory seminar): Zheng Li, CFEL Hamburg Following Non-Born-Oppenheimer Electron-Hole Dynamics After Valence Photoionization Using Spectroscopic Approaches
28.10. (Theory seminar): Fabian Gottwald, Institut für Physik, Universität Rostock Vibrational Spectroscopy via Generalized Langevin Dynamics: Applicability and Beyond
20.11. (Theory Seminar): Dwayne Miller, CFEL Hamburg Do we live in a quantum world?
20.11. (Colloquium): Dwayne Miller, CFEL Hamburg Mapping atomic motions with ultrabright electrons: the chemists’ Gedankenexperiment enters the lab frame
2013
10.01. (Colloquium): Dr. Sergei Ivanov, Institut für Physik, Universität Rostock Quantum Dynamics
26.03. (Theory seminar): Prof. Thomas Niehaus, Institut für Theoretische Physik, Univeristät Regensburg Approximate time-dependent density functional theory
16.04. (Theory seminar): Prof. T. Dittrich, Departamento de Física, Universidad Nacional de Colombia, Bogotá D.C., Colombia Semiclassical propagation in phase space: A versatile analysis tool for complex quantum dynamics
20.06. (Colloquium): Prof. H.-D. Meyer, Institut für Physikalische und Theoretische Chemie, Universität Heidelberg Molecular Quantum Dynamics Studied With the Multi-Configuration Time-Dependent Hartree (MCTDH) Approach
20.06. (Theory seminar): Prof. H.-D. Meyer, Institut für Physikalische und Theoretische Chemie, Universität Heidelberg The Multi-Layer Extension of the MCTDH Method. Towards Large Quantum Systems
02.07. (Theory seminar): T. Zentel, Institut für Physik, Universität Rostock (Non-)linear IR-Spectra from Classical Trajectories in Model Systems
12.11. (Theory seminar): Dr. Oriol Vendrell, CFEL Hamburg Nuclear and Electronic Dynamics Triggered by Photoionization
2012
08.05. (Theory seminar): PD Dr. Andreas Köhn, Institut für Physikalische Chemie, Johannes Gutenberg Universität Mainz Nature of Electronic States in Multichromophoric Systems
22.05. (Theory seminar): Dr. Kris van Houke, Department of Physics and Astronomy, University of Gent Feynman Diagrams versus Fermi-gas Feynman Emulator
21.06. (Colloquium): Prof. Y. Tanimura, University of Kyoto Modeling, Calculating, and Analyzing Multidimensional Vibrational Spectroscopies
22.06. (Theory seminar): Prof. Y. Tanimura, University of Kyoto Reduced Hierarchy Equations of Motion Approach to a Quantum Dissipative System
30.-31.08: 2nd Workshop on "Exciton Dynamics and Spectroscopy"
19.09. (Theory seminar): M. Mališ, R. Bošković Institute Zagreb A Search for the Non-radiative Deactivation Pathways in Model Peptides: The NH2-Phe-Ac case
23.10. (Theory seminar): Prof. Jiri Vaniček, Institute of Chemical Sciences and Engineering, EPF Lausanne Accelerating the Calculation of Ultrafast Time-resolved Electronic Spectra with Efficient Semiclassical and Quantum Methods
04.12. (Theory seminar): PD Dr. Gerald Mathias, Lehrstuhl Biomolekulare Optik, LMU München Temperature dependence of vibrational spectra: Intra- and inter-molecular mode coupling examined by classical time correlation functions
2011
11.01. (Theory seminar): Dr. Yun-an Yan, Institut für Physik, Universität Rostock Simulation of the Nonlinear Infrared Spectra with Equilibrium Molecular Dynamics
21.-22.03: Workshop on "Exciton Dynamics and Spectroscopy”
14.06. (Theory seminar): Prof. Dr. Jörg Tatchen, Theoretische Chemie und Computerchemie, Heinrich-Heine Universität Düsseldorf Computational Organic Photophysics: From Time-Dependent Approaches to Semiclassical On-The-Fly Dynamics
21.06. (Theory seminar): Dr. Sergey Bokarev, Institut für Physik, Universität Rostock Theoretical study of the photocatalytic water splitting process based on iridium photosensitizers
28.06. (Theory seminar): Dr. Sergei Ivanov, Theoretische Chemie, Ruhr Universität Bochum Dissecting infrared spectra of CH5+ isotopologues by means of ab initio path integral techniques
18.10. (Theory seminar): Dr. Mikiya Fujii, University of Tokyo Quantum and semiclassical theories for nonadiabatic transitions based on overlap integrals related to fast degrees of freedom
17.11. (Colloquium): Prof. Peter Saalfrank, Universität Potsdam Ultrafast, correlated dynamics of laser driven electrons
22.11. (Theory seminar): Prof. Nadja Došlić, R. Bošković Institute Zagreb First Principles Nonadiabatic Molecular Dynamics: An Unbiased Search for Radiationless Deactivation Pathways
06.12. (Theory seminar): Prof. Emad F. Aziz, Helmholtz Zentrum Berlin Fluorescence From Transition-Metal Complexes in Solution
2010
11.01. (Theory seminar): Prof. Tõnu Pullerits, Chemical Physics, Lund University Excitation Annihilation Reveals Structure And Exciton Dynamics In Light Harvesting Systems
19.01. (Theory seminar): Dr. Nadja Došlić, R. Bošković Institute Zagreb Optical and Dynamical Properties of Hydrogen Bonded Systems
15.06. (Theory seminar): Prof. Michael Thorwart, Institut für Physik, Universität Hamburg Quantum Coherence In Biomolecular Exciton Systems
22.09. (Theory seminar): Dr. Sergey Polyutov, Chemical Physics, Lund University The role of vibronic coupling in dissipative dynamics of excitons in molecular aggregates
28.10. (Colloquium): Prof. Dr. Jörn Manz, Institut für Chemie, Freie Universität Berlin Panta rhei - electron fluxes during chemical reactions
14.12. (Theory seminar): Dr. David Ambrosek, Institut für Physik, Universität Rostock PBI-1: From H- to J-aggregate
21.12. (Theory seminar): Mahmoud Abdel-Latif, Institut für Physik, Universität Rostock Multidimensional Hamiltonian and wave packet dynamics of Mn2(CO)10
2009
20.01. (Theory seminar): PD Dr. Volkhard May, Institut für Physik, Humboldt Universität Berlin Mixed Quantum-Classical Description of Electronic Excitation Energy Transfer in Supramolecular Complexes
28.04. (Theory seminar): Dr. Yun-an Yan, Institut für Physik, Universität Rostock Vibrational Dynamics of Hydrogen Bonds in Nucleic Acid Base Pair
28.04. (Theory seminar): Ashour Ahmed, Department of Chemistry, University of Cairo Geometric H/D isotope effect and cooperativity of H-bonds in sodium dihydrogen triacetate
23.06. (Theory seminar): Mahmoud Abdel-Latif, Institut für Physik, Universität Rostock Laser Driven Dynamics and Control of Double Proton Transfer
08.12. (Theory seminar): PD Dr. Burkhard Schmidt, Institut für Mathematik, Freie Universität Berlin Controlling Molecular Alignment By Intense Laser Fields
15.12. (Theory seminar): Dr. David Ambrosek, Institut für Physik, Universität Rostock Excitons in Aggregates: A Study of Perylene Diimide Complexes
2008
20.06. (Theory seminar): Dr. Yun-an Yan, Institut für Physik, Universität Rostock Hybrid QM/MM Simulation of Hydrogen Bonds in Nucleic Base Pairs