Gruppenseminar
Die Arbeitsgruppen Bischoff und Usvyat führen ein gemeinsames Gruppenseminar durch.
Eine Übersicht über die Seminare der Arbeitsgruppe Prof. Sauer finden Sie hier.
Sommersemester 2021
| Datum | Thema | Vortragende/r |
|---|
Frühere Seminare
Sommersemester 2021
| Datum | Thema | Vortragende/r |
|---|---|---|
|
10.05.2021 |
CC2 response method using local correlation and density fitting approximations for the calculation of the electronic g-tensor of extended open-shell molecules (Disputation) | Evelin Christlmaier |
Wintersemester 2020/21
| Datum | Thema | Vortragende/r |
|---|---|---|
|
19.02.2021 |
Application of deep learning for evaluation of intermediates in the periodic Hartree-Fock and Post-Hartree-Fock Theories (Bachelorverteidigung) | Leon Gerndt |
|
19.02.2021 |
DFT calculations of different cathode materials for Lithium-ion batteries (StudentInnen-Seminar) |
Cristina Castañón |
|
02.02.2021 |
Untersuchung der Größenintensivität von Anregungsenergien und Eigenschaften von Anregungen, lokalisiert an Defekten in Oligomeren (Bachelorverteidigung) | Claas Wieland |
|
29.01.2021 |
Understanding of water oxidation in photosystem II (StudentInnen-Seminar) |
Hendrik Hanebrink |
|
22.01.2021 |
Neural networks/artificial intelligence in quantum chemistry (StudentInnen-Seminar) |
Johannes Janovsky |
|
22.01.2021 |
DFT & Dispersion (StudentInnen-Seminar) |
Julianne Eckert |
|
19.01.2021 |
CC2 response method using local correlation and density fitting approximations for the calculation of the electronic g-tensor of extended open-shell molecules | Evelin Christlmaier |
|
15.01.2021 |
Quantum Chemistry of Frustrated Lewis Pairs (StudentInnen-Seminar) |
Tamino Bosse |
|
18.12.2020 |
Ab initio methods: Coupled cluster (StudentInnen-seminar) |
Hee-Jin Lee |
|
18.12.2020 |
Force Fields (StudentInnen-Seminar) |
Tim Eppler |
|
11.12.2020 |
Multiresolution Analysis in Quantum Chemistry (StudentInnen-Seminar) |
Hannes Borchert |
|
11.12.2020 |
KLI approximation for the optimised potential method in DFT (StudentInnen-Seminar) |
Martha Wachter-Lehn |
Sommersemester 2020
| Datum | Thema | Vortragende/r |
|---|---|---|
|
21.09.2020 |
Bestimmung der Strukturen kleiner Helium-Cluster in starken Magnetfeldern (Bachelorverteidigung) |
Tim Eppler |
|
24.08.2020 |
Development of an approximate system-dependent nuclear correlation factor in MRA in quantum chemistry (Bachelorverteidigung) |
Martha Tordis Wachter-Lehn |
|
18.08.2020 |
Optimized reference wave functions for the vibrational density matrix renormalization group (Masterverteidigung) |
Anna Kelemen |
|
30.07.2020 |
Simulation von Elektronendynamik in gekoppelten Quantenpunkten mithilfe von Quantencomputern (Masterverteidigung) |
Fabian Langkabel |
|
20.07.2020 |
Electronic g-Tensor calculations for extended systems |
Evelin Christlmaier |
|
13.07.2020 |
Short Introduction in deep learning and Keras for regression analysis |
Leon Gerndt |
|
06.07.2020 |
Theoretical Foundations of Electronic g-Tensor Calculations |
Evelin Christlmaier |
Wintersemester 2019/20
| Datum | Thema | Vortragende/r |
|---|---|---|
|
27.02.2020 |
Formation of water under silica cover | Thomas Mullan |
|
13.02.2020 |
Derivation of second-order Coupled Cluster properties | Martin Christlmaier |
|
06.02.2020 |
First-order properties of ionized states from local coupled cluster response theory with density fitting II | Alexander Krach |
|
05.02.2020 |
First-order properties of ionized states from local coupled cluster response theory with density fitting I | Alexander Krach |
|
30.01.2020 |
Studies of graphene (Studenten-Seminar) |
Ezgi Akovali |
|
23.01.2020 |
Quantum computing (Studenten-Seminar) |
Christopher Raab |
|
16.01.2020 |
Force fields (Studenten-Seminar) |
Jeremy Maltitz |
|
09.01.2020 |
Methods for calculation of vibrational spectra (Studenten-Seminar) |
Timo Keller |
|
19.12.2019 |
Noble-Noble Strong Union: Gold at Its Best to Make a Bond with a Noble Gas Atom (Studenten-Seminar) |
Ouchan He |
|
12.12.2019 |
Modeling Enzymatic Reactions Involving Transition Metals (Studenten-Seminar) |
Judith Müchler |
|
12.12.2019 |
A B3LYP and MP2 theoretical investigation into host-guest interaction between calix[4]arene and Li+ or Na+ (Studenten-Seminar) |
Mariella Gabler |
|
05.12.2019 |
Mechanism of Alkoxy Groups Substitution by Grignard Reagents on Aromatic Rings (Studenten-Seminar) |
Lukas Husarich |
|
05.12.2019 |
Application on Physisorption and Chemisorption of Linear Alkenes in Zeolites (Studenten-Seminar) |
Mete-Sungur Dalgic |
|
28.11.2019 |
Cu–Fe core–shell nanoparticles: structure, stability, electronic, and magnetic properties (Studenten-Seminar) |
Zehua An |
|
27.11.2019 |
Zwischenbericht | Fabian Müller |
|
21.11.2019 |
H2 adsorption in metal-organic frameworks (Studenten-Seminar) |
Duc Minh Bui |
|
20.11.2019 |
How to use the Integrated Tensor Framework (ITF) of MOLPRO | Ernst-Christian Flach |
|
14.11.2019 |
Calculations on metal oxide clusters (Studenten-Seminar) |
Henning Windeck |
|
14.11.2019 |
Tamm-Dancoff approximation (Studenten-Seminar) |
Vincent Ruß |
|
22.10.2019 |
Masterverteidigung: Development of Optimized Kohn-Sham Exchange Potentials and Their Application in Linear Response Methods Using Multiresolution Analysis | Julius Stückrath |
|
16.10.2019 |
Massively parallelizable vibrational DMRG |
Anna Kelemen |
Sommersemester 2019
| Datum | Thema | Vortragende/r |
|---|---|---|
| 20.08.2019 | Masterverteidigung: Automatized hierarchical scheme to calculate interaction in crystals | Shaofei Chen |
| 09.07.2019 | Bachelorverteidigung: Development of an approximate nuclear correlation factor in MRA in quantum chemistry | Hannes Borchert |
| 19.06.2019 | Masterarbeit Zwischenbericht: Model Kohn-Sham potentials as approximation for the Optimized Effective Potential method using Multiresolution Analysis | Julius Stückrath |
| 05.06.2019 | Fragment based Full CI Quantum Monte Carlo calculations using local orbitals | Martin Christlmaier |
| 08.05.2019 | Investigating surface reactions and kinetics: A DFT study of water formation on ruthenium | Thomas Mullan |
Wintersemester 2018/19
| Datum | Thema | Vortragende/r |
|---|---|---|
| 15.03.2019 | Test-driven development | Daniel Manz |
| 14.03.2019 | Bachelorverteidigung: Extrapolation of the LMP2 energy to the infinite crystal on the basis of the atom pairs | Malte Schwitzkowski |