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Faculty Lectures

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

Upcoming talks:

DateNameTitle
13.01.2025John A. Gladysz (Texas A&M University College of Arts & Sciences, USA) From Molecular Gyroscopes to Homeomorphic Isomerization: Molecules that Turn Themselves Inside-Out

Past talks:

DateNameTitle
09.12.2024Sir David Clary (University of Oxford, UK)
!!! Carl Auer von Welsbach Hörsaal (HS1) !!!
🎅Christmas Lecture!🎄
Erwin Schrödinger and Walter Kohn: Sons of Vienna, Stars of Science
11.11.2024Vaidhyanathan Ramamurthy (University of Miami, USA)Role of space and weak interactions on excited state processes
14.10.2024Heike Brötz-Oesterhelt (University of Tübingen, Germany)Elaborate Mechanisms of Natural Product Antibiotics

Group Seminar Talks (530032 SE Quantum Chemistry and Chemical Dynamics)

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.

DateNameTitle
07.01.2025Fuli Sun
07.01.2025Rahul Kumar Jingar
14.01.2025Ellen Backus (University of Vienna)
14.01.2025Johannes Dietschreit
21.01.2025Patrick Lechner
21.01.2025Laurens van Dam

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.

DateNameTitle
07.01.2025Dóra Vörös
14.01.2025Simon Tippner
21.01.2025Dilara Farkhutdinova

Past talks:

DateTypeNameTitle
17.12.2024JCPatrick Lechner
17.12.2024SciSeMarzio Gentile
17.12.2024SciSeFeven Alemu KorsayeCoherent Switching with Decay of Mixing (CSDM). Valid alternative to Trajectory Surface Hopping (TSH)
10.12.2024JCLorenz GrünewaldIncluding Photoexcitation Explicitly in Trajectory-Based Nonadiabatic Dynamics at No Cost
10.12.2024SciSeDilara FarkhutdinovaExploring Excited-State Dynamics in an Open-shell Fe(III) Spin-Crossover Complex
10.12.2024SciSeSascha MausenbergerSHARC 4.0: HYBRID is all you need
03.12.2024JCRahul Kumar Jingar
03.12.2024SciSeBrigitta BachmairSHARC, Ammonia, and Co.: A Little Bit of Everything
03.12.2024SciSeMax Tiefenbacher FieldSchNet - The last chapter
19.11.2024JCLaurens van DamOn the CREST (Quest) to Sample Conformational Space
19.11.2024SciSeSimon Tippner Exploration of a manganese-vanadium water oxidation catalyst: From solution into soft matter
19.11.2024SciSeRichard Jacobi and Annika Neufischer Optimizing a DNA three-way junction for energy transfer
12.11.2024SciSeMarkus Oppel💾 What you don't want to know about file systems but still need to know 💽
12.11.2024JCSergei Tretiak (Los Alamos National Laboratory)Non-adiabatic excited state molecular dynamics and theoretical spectroscopy of molecular systems
05.11.2024JCJohannes DietschreitFrom the atomic cluster expansion to modern neural force fields
05.11.2024SciSeSebastian MaiExcited state dynamics of thiol 2-thiocytosine, or: Why I was in Athens and in Georgia this Summer
05.11.2024SciSeGaurab GangulyUnveiling Triplet Biradical Dynamics in Transition Metal Molecular Solar-Thermal (MOST) Systems with Marcus Theory and El–Sayed’s Rule
29.10.2024JCMarzio GentileVisualizing and characterizing excited states from time-dependent density functional theory
29.10.2024SciSeEduarda Sangiogo GilMixed quantum-classical dynamics with a hybrid quantum-classical algorithm
29.10.2024SciSeUmberto RossoniNon-Radiative Excited-State Deactivation of Iridium Complexes
22.10.2024JCSascha MausenbergerSHARP pack: A modular software for incorporating nuclear quantum effects into non-adiabatic dynamics simulations
22.10.2024SciSeHans Georg GallmetzerThe Struggle (finally) Ended: MOPAC-PI and SHARC
22.10.2024SciSeRicardo MeyrellesC-H activation "without" metals
08.10.2024JCBrigitta BachmairAb initio quantum chemistry with neural-network wavefunctions
08.10.2024SciSeDóra Vörös The Curse of the Glass Surface: Dead Photoswitches Tell No Tales
08.10.2024SciSeBoris MaryasinDensity Functional Theory for Organic Chemistry: Tackling the Challenges of Large Molecules
01.10.2024JCRichard JacobiLecture Tour through the US
01.10.2024SciSeLorenz GrünewaldExclusive Magnetic Optical Spectroscopy with Ultrafast Laser Pulses
01.10.2024SciSeLeticia GonzálezOrganization