Group Seminar Summer Term 2018
Format: Presentation and discussion of interesting literature, numerical or technical facts, tools and fundamental questions of science. Informal scientific get-together with coffee and biscuits
Date: Tuesdays, 4:00 pm (16:00), unless stated otherwise
Room: CH 63214 (Seminar Room TUM.computational)
For appointment requests please contact Simon Rittmeyer or Harald Oberhofer.
| Date | Speaker | Title |
|---|---|---|
| 10.04.2018 | Daniel Schreck (Universität Innsbruck) | Dissociative chemisorption of H2O on different TiO2 surfaces in rutile modification (PhD position application talk) |
| 23.04.2018 (Mo, 14:30) | Dr. Craig Plaisance | Beyond Computational Catalyst Screening of Electrocatalytic Materials – Strategies for Atomic-scale Active Site Engineering for the Oxygen Evolution Reaction on Transition Metal Oxides |
| 24.04.2018 | Dr. Volker Deringer (University of Cambridge) | Machine-learning-based interatomic potentials as new tools for solid-state and materials chemistry |
| 08.05.2018 | Max Falkowski (Munich University of Applied Sciences) | Lead-free ferroelectrica based on HfO2 and ZrO2 |
| 15.05.2018 | Dr. Vanessa J. Bukas (Stanford University) | Experimental and theoretical evidence for the mechanism of efficient hydrogen peroxide formation on mildly reduced graphene oxide |
| 12.06.2018 | Christoph Hille | Parameterization of an Implicit Solvation Model for Non-Aqueous Solvents (Presentation of M.Ed. Thesis) |
| 14.06.2018 (Thu, 3pm) | Artur Engelmann | The generation of pairwise interatomic potentials from arbitrary structures - A machine learning approach with application in DFTB (M. Sc. Defense) |
| 19.06.2018 | Prof. Jochen Blumberger (University College London) | Charge transport in organic materials from non-adiabatic molecular dynamics simulation |
| 22.06.2018 (Fri, 11.30) | Arobendo Mondal (TU Berlin) | First-principles computations of NMR shifts for extended paramagnetic solids: significant effects beyond the contact shifts |
| 26.06.2018 | Sina Stocker | Parameterization of a Polarizable Force Field for Glass-Amorphous Li3OCl (Presentation of M.Sc. Thesis) |
| 26.06.2018 | Simon Wengert | Validation of a Polarizable Atomistic Force Field for the Solid State Ion Conductor LATP (Presentation of M.Sc. Thesis) |
| 27.07.2018 (Fr, 11:00am) | Maxi Iglhaut | Quantum chemical investigation of the reaction kinetics of rearrangement reactions regarding the formation of ethanol from syngas (Presentation of B.Sc. Thesis) |
| 27.07.2018 (Fr, 11:00am) | Robin Feldmann | Towards Understanding Semiconductivity in Metal–Organic Frameworks – on the Effective Mass Tensor (Presentation of B.Sc. Thesis) |
| 27.07.2018 (Fr, 11:00am) | Sebastian Pios | Barrierfree CO2 photoreduction reaction with carbon nitrides: Mechanistic insights from excited state ab initio calculations (Presentation of M.Sc. Internship) |
| 07.08.2018 | Johannes Lechner | Wulff construction of anatase TiO2 nanoparticles (Presentation of B.Sc. thesis) |
| 07.09.2018 (Fr, 11:30am) | Katrine Svane (DTU) | Tuning the properties of hybrid organic-inorganic materials |
| 11.09.2018 | Nicolas Bergmann | Evaluation of bandlike charge carrier mobility in organic semiconductors (Presentation of B.Sc. Thesis) |