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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
10.06.2024Sebastian FalkMechanistic insights into RNA-mediated gene silencing
21.05.2024A. Heather EliassenMetabolomics and chronic disease: etiologic investigations through molecular epidemiology
06.05.2024Eugenio CoronadoFunctional molecules in two-dimensional materials

Group Seminar Talks (530006 SE Chemistry on the Computer)

These talks take place Thursday at 09:30h (exceptions indicated) in a hybrid way - in the seminar room at Währingerstraße 17, 1090 Wien, 4th floor or by ZOOM. If you are registered you should have received an email with instructions.

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

These talks will take place Thursday at 11:15h in a hybrid way - in the seminar room at Währingerstraße 17, 1090 Wien, 4th floor or by ZOOM. If you are registered you should have received an email with instructions.

Past talks:

DateTypeNameTitle
27.06.2024SciSeFu-li SunCO2RR Simulation on MOCHAs
27.06.2024SciSeLaurens van DamComputational Insights into PXX-based Photocatalysis
27.06.2024JCMeritxell Malagarriga PérezTheory of Adaptive Optimization for Umbrella Sampling
27.06.2024SciSePatrick LechnerMOFs - Metal Organic Frameworks
13.06.2024SciSeTomislav PitešaFurther developments of ECI method and SHARC-ECI interface
13.06.2024SciSeFeven Alemu KorsayeCoherent Switching with Decay of Mixing (CSDM): Non-adiabatic dynamics including overcoherence correction
13.06.2024JCSascha MausenbergerPySurf: A Framework for Database Accelerated Direct Dynamics
23.05.2024SciSeLorenz GrünewaldiStOMPS goes SHARC: Implementation of Second-Order Light-Matter Interaction
23.05.2024SciSeRahul Kumar Jingar{A}Counting {for} Errors
23.05.2024JCSeverin PoloniusA Perspective on Sustainable Computational Chemistry Software Development and Integration
16.05.2024SciSeHans Georg GallmetzerCombining OM2 and SHARC, The Struggle Continues
16.05.2024SciSeEduarda Sangiogo GilMixed quantum-classical dynamics with a hybrid quantum-classical algorithm
16.05.2024JCJulia HaberhauerInvestigation of a PLATICT
02.05.2024SciSeMeritxell Malagarriga PérezDNA and a ruthenium photosensitizer. The story of how they got together.
02.05.2024SciSeSascha MausenbergerA peek at the next-generation SHARC interfaces
02.05.2024JCBianca Laura HansenHow to investigate solvent cage dynamics around photo-activated molecules?
25.04.2024SciSeMaximilian Xaver TiefenbacherFieldSchNarc: training and testing
25.04.2024SciSeBrigitta BachmairA Computational Carol in Prose, Being a Ghost-Story of Rare Excited-State Reactions
25.04.2024JCMarziogiuseppe Gentile Radiation Chemistry in Chemically Amplified Resists
18.04.2024SciSeSeverin PoloniusResolving Femtosecond Solvent Reorganization Dynamics in an Iron Complex by Nonadiabatic Dynamics Simulations - Now in 3D
18.04.2024SciSeRicardo MeyrellesI is poor. I needs to work overtime
18.04.2024JCDilara FarkhutdinovaSpin-State Energetics of Fe(III) and Ru(III) Aqua Complexes: Accurate ab Initio Calculations and Evidence for Huge Solvation Effects
04.04.2024SciSeBoris MaryasinStereodivergent Synthesis via Sulfonium Rearrangement: Insights Under the Computational Magnifying Glass
04.04.2024SciSeDóra VörösDANS glass ad(b)sorption Easter Eggs you might have missed…
04.04.2024JCHans Georg GallmetzerExploring the frontiers of condensed-phase chemistry with a general reactive machine learning potential
21.03.2024SciSeRichard JacobiUmbrella sampling of a three-way DNA junction
21.03.2024SciSeMarziogiuseppe Gentile Which is the predominant binding mode of Palmatine to DNA?
21.03.2024JCMaximilian Xaver TiefenbacherA neural network potential with rigorous treatment of long-range dispersion
14.03.2024SciSeŠtěpán SršeňFantastic Molecular Representations and Where to Find Them
14.03.2024SciSeGaurab GangulyUnveiling the Photochemistry of (Fulvalene)M2(CO)4 (M=Ru,Fe) Complexes for Molecular Solar Thermal Applications
14.03.2024JCFeven Alemu KorsayeFollowing the density evolution using real time density functional theory and density based indexes: Application to model push–pull molecules
07.03.2024SciSeSimon TippnerFrom a thread to a membrane: Lessons learned from soft-matter environments
07.03.2024SciSeDilara FarkhutdinovaExcited State Dynamics of an open-shell Fe(III) spin-crossover Compound
07.03.2024JCEduarda Sangiogo GilFrenkel exciton photodynamics of self-assembled monolayers of azobiphenyls