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Due to the current situation with COVID-19 inform yourself with how courses are held.
(See course description, contact lecturer, university announcement)


Faculty Lectures

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

Upcoming talks:

DateNameTitle
28.01.2021Davide Avagliano14:30 Online via Microsoft Teams SHARC/COBRAMM approach for nonadiabatic dynamics: methodology, key steps and applications

Past talks:

DateNameTitle
18.01.2021Dr. Oldamur HollóczkiOn the environmental effects of nanoplastics
12.01.2021Dr. Maren PodewitzReaction Mechanisms and Reactivity of Complex Systems Uncovered by Computational Chemistry
14.12.2020Univ.-Prof. Dr. Fabian PfrengleChemical Synthesis of Plant Glycans and Their Applications in Cell Wall Biology
09.11.2020Assoc. Prof. Dr. Dennis KurzbachRecent Developments in NMR Methodology for Applications in Biology and Chemistry
09.11.2020Ass. Prof. Dr. Robert AhrendsFrom Lipid Analytics to Lipid Function
12.10.2020Dr. Gilles Gasser16:00 Online via Moodle Collaborate Metal Complexes as Diagonstics and Therapeutics

Group Seminar Talks (270122 SE Computational Chemistry and Modeling)

These talks take place Tuesday at 08:15h (exceptions indicated) held as a virtual meeting by ZOOM. If you are registered you should have received an email with instructions.

DateNameTitle
26.01.2021M. Beyer (Innsbruck)
26.01.2021David Hernández-Castillo/Ludwig SchwiedrzikTowards more efficient water oxidation catalysis : Ruthenium / POM catalysts

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

These talks will take place Thursday at 08:15h held as a virtual meeting by ZOOM. If you are registered you should have received an email with instructions.

DateNameTitle
28.01.2021Boris Maryasin

Past talks:

DateTypeNameTitle
21.01.2021JCBrigitta BachmairNuclear quantum effects enter the mainstream
19.01.2021SciSeAnna Karina BäckSelective CO/NO-photodissociation mechanisms of mixed-ligand molybdenum complexes
19.01.2021SciSeJin WenMolecular Motors
14.01.2021JCMax TiefenbacherImproved protein structure prediction using potentials from deep learning
12.01.2021SciSeJulia FranzInvestigation of the absorption spectra of two redox active dithio Re-complexes
12.01.2021SciSeMadlen Reiner/Brigitta BachmairNon-adiabatic transition path sampling using the surface hopping algorithm: A novel approach to accelerate the discovery of photoreactions
07.01.2021JCMarkus OppelQuantum Algorithms for Quantum Chemistry and Quantum Materials Science
17.12.2020JCMadlen ReinerStudying rare nonadiabatic dynamics with transition path sampling quantum jump trajectories
15.12.2020SciSeNadja SingerThe secret life of novel fluorophores
15.12.2020SciSeRobert StrothmannGeneral mechanism of photocleavable tags described with quantum chemistry
15.12.2020SciSeLeon FreitagDifferent or same? Dissociation mechanism in Pt(IV) cis and trans azido complexes
10.12.2020JCNadja SingerUn-gating and allosteric modulation of a pentameric ligand-gated ion channel captured by molecular dynamics
01.12.2020SciSeLaurin PollesböckAminolactonisation of exocyclic olefins: A mechanistic study
01.12.2020SciSeMoritz HeindlThe long wait for a good set of surface hopping parameters in the presence of laser fields
24.11.2020SciSeAnna WernbacherCharacterizing a Ruthenium Catalyst with a Functionalized Ligand
19.11.2020JCRicardo MeyrellesChemVox: Voice-Controlled Quantum Chemistry
17.11.2020SciSePatrick ZobelEXTRASHARC LVC Dynamics
12.11.2020JCLeon FreitagDiabatization by Machine Intelligence
10.11.2020SciSeDóra VörösThe Excited State Intramolecular Hydrogen Transfer Mechanism of ortho-Nitrobenzaldehyde
10.11.2020SciSeDavide AvaglianoQueere Tiere: celebration of a love story
05.11.2020JCPhilipp MarquetandPredicting oxidation ..
03.11.2020SciSeMarkus OppelCluster and Slurm
27.10.2020SciSeSebastian MaiParallel computing exercise
22.10.2020JCLudwig SchwiedrzikAutomatic Discovery of Chemical Reactions Using Imposed Activation
20.10.2020SciSeSebastian MaiParallel computational chemistry and how to plan simulation projects
15.10.2020JCMoritz HeindlNew Energy-Based Decoherence Correction Approaches for Trajectory Surface Hopping
13.10.2020SciSeVSC Team9:00 - 13:00 VSC Online Seminar
08.10.2020JCElena CastellaniSite-Specific Photo-oxidation of the Isolated Adenosine-5'-triphosphate Dianion Determined by Photoelectron Imaging
06.10.2020SciSeLeticia GonzálezOrganization
01.10.2020JCLeticia GonzálezOrganization