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Faculty Lectures

All those talks start at 16.00 in Joseph Loschmidt Hörsaal, Währinger Straße 42, 1090 Wien.

Upcoming talks:

Past talks:

DateNameTitle
01.06.2026Katherine Geogheghan, Senior Editor at Nature Chemistry - Springer NatureBehind-the-scenes at Nature Chemistry
18.05.2026Renato Zenobi; Department of Chemistry and Applied Biosciences, ETH Zürich, SwitzerlandSoft Ionization Mass Spectrometry for Studying Noncovalent Interactions
20.04.2026Roger Schibli, ETH ZürichNuclear theragnostics from bench-to-bedside
16.03.2026Stefan Hecht,Department of Chemistry & Center for the Science of Materials Berlin, Humboldt-Universität zu Berlin, GermanyMolecular Photoswitches to Light-up Materials, Devices, and Manufacturing

Group Seminar Talks (530006 SE Chemistry on the Computer)

These talks take place Thursdays at 08:45h in the seminar room at Währingerstraße 17, 1090 Wien, 4th floor.

Journal Club (530003 SE Journal Club Theoretical and Computational Chemistry)

Unless noted differently, these talks start Thursdays 10:30h in the seminar room at Währingerstraße 17, 1090 Wien, 4th floor.

Past talks:

DateTypeNameTitle
18.06.2026JCPatrick LechnerFewest-Switches Surface Hopping with Combined Deep Learning Potential and Long Short-Term Memory Network Propagator for Simulating Realistic Photochemical Processes
18.06.2026SciSeKonstantinos Pantelis ZoisClassical MD simulations of bimetallic rotaxanes
18.06.2026SciSeVania RamosThe Manganese Challenge: Chasing Low-Cost Photosensitizers
18.06.2026SciSeFrancesca MainoIbuprofen's Toxic Relationship with Light
11.06.2026JC

Jannis Leif Johann

N.N.
11.06.2026SciSeConstantin FeitlA Tale of Two Colors: Computational Exploration of Wavelength-Selective Reactions
11.06.2026SciSeElias PetranyiLVC/MM SHARC simulations of aqeuous [Fe(bpy)3]2+ Volume II
28.05.2026JCLaurens van DamAccelerated Surface Hopping via Scaling the Spin–Orbit Coupling: Opportunities for Machine Learning
28.05.2026SciSePavel PokhilkoASTRA practice talk
28.05.2026SciSeJesus Lucia TalmudoBreaking Harmonic Walls: Relaxed LVC/SHARC Dynamics for Flexible Molecular Motions
21.05.2026SciSeJason YangThrowing Ropes on Floating Mountains: Nonadiabatic Transition Path Sampling and Beyond
21.05.2026SciSeRachel Crespo OrteroModelling excited state processes in organic molecular crystals
07.05.2026SciSeRichard JacobiEnergy transfer computations in DNA-liposome hybrids
07.05.2026SciSeMaximilian SliwaBOD(IP)Y Surfing with SHARCs and ORCAs
07.05.2026JCDilara FarkhutdinovaRobustness and reliability of different CASPT2 flavors for nonadiabatic molecular dynamics
07.05.2026SciSePaula SchmalenbachInvestigating radical anion excited state lifetimes using EOM-CCSD variant
30.04.2026JCKonstantinos Pantelis ZoisEnhanced Surface Hopping Method for Sampling Rare Nonadiabatic Events
30.04.2026SciSeJannis Leif JohannInvestigating TM complexes with sulfur-functionalized ligands
30.04.2026SciSeLaurens van DamChronicles of an LVC Whisperer
23.04.2026JCGeorg GallmetzerOMNI-P2x: A Universal Neural Network Potential for Excited-State Simulations
23.04.2026SciSePatrick LechnerSpin Frustration in triangular 1st row metal MOFs: A new hope
23.04.2026SciSeMarco RomanelliThermal vs Quantum Sampling of Initial Conditions in Solid-State Surface Hopping
16.04.2026JCRichard JacobiStable and Accurate Orbital-Free Density Functional Theory Powered by Machine Learning
16.04.2026SciSeSebastian MaiPicosecond Intersystem Crossing Quenching in Aqueous 6-Cyanobenzquinuclidine
16.04.2026SciSeJohannes DietschreitPredicting Vertical Excitations A La Carte
26.03.2026SciSeDora VörösNavigating the parameter maze of CASPT2 with Eu3+ as case study
26.03.2026SciSeDiksha DikshaLet’s cook some spectra!
26.03.2026JCJason YangMolecular Free Energies, Rates, and Mechanisms from Data-Efficient Path Sampling Simulations
19.03.2026SciSeSimon TippnerWhy Marcus was blocking the cluster for a week
19.03.2026SciSeApurba NandiMachine Learned Potentials (MLPs) for Next-generation Quantum Molecular Simulations
12.03.2026JCMarkus OppelA tale of insects, snakes and zebras
12.03.2026SciSeGeorg GallmetzerTrials and Tribulations of the Serotonin Transporter
12.03.2026SciSeDilara FarkhutdinovaFollowing the Fate of Excited States in Iron(III) Complexes
05.03.2026JCPavel PokhilkoGeneral approach to evaluation of spin–orbit couplings between arbitrary multiplicites
05.03.2026SciSeLeticia GonzálezOrganization
05.03.2026SciSeSascha MausenbergerMachine-Learning Accelerated Exciton Models: To couple ,or not to couple