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Group seminar

General Information

Semester: summer and winter term

In this seminar each of our PhD students will give a presentation of his/her current research and hold a theory talk. Additionally, Bachelor and Master students will present their projects. All talks will be in English.

The seminar is public and will take place on Wednesdays at 10:15 am. External visitors are very welcome!

 

Termine

Date

Who?

Titel

Room

April 27th, 2022

Sourabh

Multiscale modeling of mechanophores activation in polymers

NW2/B3240

May 11th, 2022

Jonas

A computational analysis of the siderophore putrebactin

NW2/B3240

May 18th, 2022

Rahel

The impact of scaling the VDW-sphere in x-HCFF

NW2/B3240

May 25th, 2022

Dr. Mausumi Chattopadhyaya

research report - tba

NW2/B3240

June 15th, 2022

Tarek

Determining Absolute Configurations by Calculating CD Spectra

NW2/B3240

June 22nd, 2022

Julius

Hybrid QM/MM Simulations in proteins

NW2/B3240

Juli 6th, 2022

Chieh-Min

calculate band gap and energy level alignment of semiconductor heterojunction

NW2/B3240

Juli 13th, 2022

Felix

Future development of the GOSTSHYP model

NW2/B3240

Date

Presenter

Title

Location

3rd, November 2021

Tarek

Rupture forces of mechanophores in oriented external electric fields

NW2 / B3118

10th, November 2021

Julius

DFT-Simulations of possible hydrogen transfer pathways in a huntingtin-chaperone-complex

NW2 / B3118

17th, November 2021

Sourabh

In Silico Optimization of the Activation of Mechanophores in Polymers

NW2 / B3118

24th, November 2021

Felix

Using integral screening for an efficient GOSTSHYP implementation

NW2 / B3118

8th, December 2021

 

Chieh-Min

Rational design ideas for solar cells in space: a computational study of HOMO-LUMO gap and band offsets at interfaces

NW2 / B3118

 

15th, December 2021

 

Sanna


Alexander

The modified JEDI analysis for geometric deformations of adsorbates on surfaces

Influencing the spectral properties of helicene derivates with pressure

online

 

12th, January 2022

Philipp
 


Lars

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

19th, January 2022

Julius

Computational chemistry and drug discovery

online

26th, January 2022

Chieh-Min

DFT geometry optimization in periodic boundary conditions

Online

2nd, February 2022

Tarek

An overview over common DFT functionals

online

9th, February 2022

Felix

An introduction to excited states methods for large molecules

online

16th, February 2022

Sourabh

Basics of Molecular Dynamics Simulation Technique

online