Gruppenseminar
Allgemeine Informationen
Semester: Sommersemester und Wintersemester
Dies ist unser Seminar, in dem unsere Promotionsstudierenden jeweils einmal im Semester ihre aktuelle Forschung präsentieren, sowie einen Theorievortrag halten. Zusätzlich werden hier Abschlusspräsentationen für Bachelor- und Masterarbeiten, sowie Forschungspraktika gehalten. Das Seminar wird grundsätzlich auf Englisch gehalten.
Das Seminar ist öffentlich und findet mittwochs um 10:15 Uhr statt. Externe Interessierte sind herzlich willkommen!
Termine
Termin | Wer? | Titel | Ort |
30.11.2022 | Sourabh | Tribofilms | NW2/A2060 |
14.12.2022 | Julius | Mechanochemistry of Gaseous Reactants | NW2/A2060 |
21.12.2022 | Chieh-Min | Mechanochemistry at the molecular level | NW2/A2060 |
| 11.01.2023 | Felix | Tribochemistry and tribochemical simulations | NW2/A2060 |
| 18.01.2023 | Tarek | Piezophilic Organisms – High Pressure Bioscience | NW2/A2060 |
25.01.2023 | Jonas | Quantenchemische Untersuchung von verdrillten Polyaren-Enantiomeren Reducing the dependence on empirical parameters in simulations of molecules under hydrostatic pressure | NW2/A2060 |
01.02.2023 | Phillipp
Rahel | Comparing High Pressure Calculations on Periodic and Finite Systems Characterising Geometric Critical Points of the Force-Modified Potential Energy Surface Using the X-HCFF Method | NW2/A2060 |
| 22.02.2023 | Henry | Simulating Diels- Alder Reactions under high Pressure using the GOSTSHYP model | NW2/A2060 |
Termin | Wer? | Titel | Ort |
27.04.2022 | Multiscale modeling of mechanophores activation in polymers | NW2/B3240 | |
11.05.2022 | Jonas | A computational analysis of the siderophore putrebactin | NW2/B3240 |
18.05.2022 | Rahel | The impact of scaling the VDW-sphere in x-HCFF | NW2/B3240 |
25.05.2022 | Dr. Mausumi Chattopadhyaya | Spincrossover in nanomaterials | NW2/B3240 |
| 15.06.2022 | Tarek | Determining Absolute Configurations by Calculating CD Spectra | NW2/B3240 |
| 22.06.2022 | Julius | Hybrid QM/MM Simulations in proteins | NW2/B3240 |
06.07.2022 | calculate band gap and energy level alignment of semiconductor heterojunction | NW2/B3240 | |
20.07.2022 | Future development of the GOSTSHYP model | online |
Termin | Wer? | Titel | Ort |
03.11.21 | Rupture forces of mechanophores in oriented external electric fields | NW2 / B3118 | |
10.11.21 | DFT-Simulations of possible hydrogen transfer pathways in a huntingtin-chaperone-complex | NW2 / B3118 | |
17.11.21 | In Silico Optimization of the Activation of Mechanophores in Polymers | NW2 / B3118 | |
24.11.21 | Using Integral screening for an efficient GOSTSHYP implementation | NW2 / B3118 | |
08.12.21 | Rational design ideas for solar cells in space: a computational study of HOMO-LUMO gap and band offsets at interfaces | online | |
15.12.21
| Sanna
| The modified JEDI analysis for geometric deformations of adsorbates on surfaces Influencing the spectral properties of helicene derivates with pressure | online
|
12.01.22 | Philipp
| Calculations of pnictogen hydrides under heavy pressure by GHOSTHYP and XHCFF Geometry optimization, frequency analysis and mechanochemical bond scission of single stranded DNA-Sequences | online |
19.01.22 | Computational chemistry and drug discovery | Online | |
26.01.22 | DFT geometry optimization in periodic boundary conditions | Online | |
02.02.22 | An overview over common DFT funktionals | Online | |
09.02.22 | An introduction to excited state methods for large molecules | Online | |
16.02.22 | Basics of Molecular Dynamics Simulation Technique | Online |