Gruppenseminar
Allgemeine Informationen
Semester: Sommersemester und Wintersemester
Dies ist unser Seminar, in dem unsere Promotionsstudierenden jeweils einmal im Semester ihre aktuelle Forschung pr?sentieren, sowie einen Theorievortrag halten. Zus?tzlich werden hier Abschlusspr?sentationen für Bachelor- und Masterarbeiten, sowie Forschungspraktika gehalten. Das Seminar wird grunds?tzlich auf Englisch gehalten.
Das Seminar ist ?ffentlich und findet Mittwochs um 10:15 Uhr statt. Externe Interessierte sind herzlich willkommen!
Termine
Termin | Wer? | Titel | Ort |
23.10.24 | Maxi | Research internship report | UFT/0730 |
| 13.11.24 | Nico | Master thesis report | UFT/0730 |
| 20.11.24 | Jonas | Reactivity in molecular dynamics | UFT/0730 |
| 27.11.24 | Julius | High-pressure molecular dynamics | UFT/0730 |
| 11.12.24 | Felix | Transition state search algorithms | UFT/0730 |
| 18.12.24 | Self consistent field algorithms Calculating dipole moments with high pressure models | UFT/0730 | |
| 08.01.25 | Chieh-Min | PhD practice talk | UFT/0730 |
| 15.01.25 | Wilke | Research overview | UFT/0730 |
| 22.01.25 | Florian | Finite-element methode simulations | UFT/0730 |
| 05.02.25 | Jonas | An overview over DFT/MRCI | UFT/0730 |
Termin | Wer? | Titel | Ort |
10.04.2024 | David | Forschungsvortrag | UFT/0730 |
| 15.05.2024 | Julius | Forschungsvortrag | UFT/0730 |
| 22.05.2024 | Chieh-Min | Forschungsvortrag | UFT/0730 |
| 29.05.2024 | Rahel | Forschungsvortrag | UFT/0730 |
| 05.06.2024 | Jonas | Forschungsvortrag | UFT/0730 |
| 12.06.2024 | Alexander | Forschungsvortrag | UFT/0730 |
| 19.06.2024 | Felix | Forschungsvortrag | UFT/0730 |
| 03.07.2024 | Ansgar Pausch | Direct GOSTSHYP | UFT/0730 |
Termin | Wer? | Titel | Ort |
07.11.23 | Noah | research internship report | UFT/0730 |
| 14.11.23 | Felix | An introduction to the CREST program package | UFT/0730 |
| 21.11.23 | Julius | On the relation between mechano- and thermochemistry | UFT/0730 |
| 05.12.23 | Chieh-Min | Dispersion interaction vs. pressure in crystals | UFT/0730 |
| 19.12.23 | Tarek | Introduction to version control | UFT/0730 |
| 16.01.24 | Quantum Computing Research internship report | UFT/0730 | |
| 30.01.24 | Artificial neural networks | UFT/0730 | |
| 06.02.24 | Manuel | The VeloxChem program | UFT/0730 |
| 13.02.24 | Jonas | Flow-induced mechanochemistry | UFT/0730 |
| 5.03.24 | David Henry | Research internship report An Introduction to JEDI | UFT/0730 |
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 |