Theory Department "Official Coffee Talk"
Thirty-minute informal talks
The coffee talks take place on Mondays at 15:30 in the common room of the T building.
Coffee is served at 15:15 and general announcements to the department are given at 15:25.
Talks should be about 15 minutes long + 15 minutes discussion.
Lunch talks [L] are announced individually.
Goals of a Coffee Talk:
- Describe challenges and open questions involving your possibly ongoing and unfinished project(s),
- present short reviews of relevant literature,
- summarize and highlight aspects of your recent publications, and
- report interesting work you saw in conferences or workshops.
Good Practices in your Coffee Talk:
- The talk should take less than 20 minutes.
- Invite the department to your talk, announcing the title or sketching the topic briefly.
- Share the slides of your talk with the department members.
- Try to avoid abbreviations and acronyms like TRPMD, MBTR etc. DFT might be ok ;-).
- Avoid to present talks you will present to the institute anyhow (DPG rehearsals and theory outing).
The coffee talks are organized by the student representatives Florian Knoop, Yair Litman, and Yuanyuan Zhou, and the group leaders Mariana Rossi and Luca Ghiringhelli.
Coffee talks are mainly given by PhD students in the department. Students are encouraged to apply for a slot and each student should present at least one coffee talk per year.
You can contact any of us by coming to our offices or sending an e-mail to ghiringhelli
fhi-berlin.mpg.de or rossifhi-berlin.mpg.de.
Tentative Schedule (updated on May 2020)
Summer term 2020
| Date | Speaker(s) | Title and Slides |
|---|
| 11 May | Herzain Isaac Rivera Arrieta | Highly Accurate Calculations for the Methane-Water Complex |
| 27 April | Alaa Akkoush | Surface Enhanced Raman Spectra |
Winter term 2017/2018
| Date | Speaker(s) | Title |
|---|
| 12 February 2018 | Maria Dragoumi | First-principles Simulations of Small Polarons in Ionic Crystals |
| 29 January 2018 | Zhong-Kang Han | Oxidation of transition metal surfaces |
| 15 January 2018 | ZhenKun Yuan | Towards Ab initio Calculations of the Electrical Conductivity in Crystalline Solids |
| 04 December 20/17 | Benjamin Regler | Autonomous subspace selection of physically meaningful properties (features) |
| 13 November 2017 | Dmitrii Maksimov | Characterization and prediction of peptide structures on inorganic surfaces |
Spring term 2016
| Date | Speaker(s) | Title |
|---|
| 11 July 2016 | Arnab Kar | Crystal structure prediction with machine learning: exploring stable and metastable states |
| 20 June 2016 | Angelo | Structural-similarity tool for the NOMAD Laboratory |
Spring term 2015
| Date | Speaker(s) | Title |
|---|
| 20 August 2015 | Xiangyue | Periodic implementation of MP2 perturbation theory in the framework of numeric atom-center orbital basis sets |
| 17 August 2015 | Salih | Numeric atom-centered orbital basis set with correlation consistency for 3d transition metals |
| 10 August 2015 | Weiqi | Electronic structure theory and molecular dynamics for heterogeneous catalysis |
| 29 June 2015 | Lydia | Graphene Engineering: An ab initio Study of the Thermodynamic Stability of Epitaxial Graphene |
| 8 May 2015 | Chenchen | Assessment of Density-Functional Theory Challenges by Compressed Sensing |
Spring term 2014
| Date | Speaker(s) | Title |
|---|
| 5 May 2014 | Xunhua and Rene | Aftertalks |
| 8 May 2014 | Alex, Jan, Tanja | Aftertalks |
| 12 May 2014 | Heiko | Adaptive multi-resolution basis set for electron-photon interactions in quantum electrodynamics |
| 19 May 2014 | Markus, Mateusz, Adriana | Aftertalks |
| 26 May 2014 | Arvid, Hongui, Wael | Aftertalks |
| 2 June 2014 | Sebastián V | Applying ELI to unravel the chemical bonding behind CO adsorption on GaPd |
| 5 June 2014 | Saswata, Amrita, Susmita | Aftertalks |
| 12 June 2014 | Aliaksei | Theoretical simulations of CO2 methanation on Ni/MgO and Ru/Ni/MgO solid solutions |
| 30 June 2014 | Lydia, Björn | Aftertalks |
Fall term 2013
| Date | Speaker | Title |
|---|
| 30 September 2013 | Norina | Concentration of Point Defects at Surfaces: The Crucial Role of T, p, and Doping |
| 28 October 2013 | Arvid | Localized Resolution of Identity - Accurate and efficient evaluation of the Coulomb operator for advanced functionals |
| 4 November 2013 | Matthias Rupp | Introduction to Support Vector Machines |
| 2 December 2013 | Ian Hamilton | Gold Clusters and Nanostructures: Zero Kelvin and Finite Temperature Calculations |
| 9 December 2013 | Oliver | Charge Localization at Inorganic/Organic Interfaces - Partial vs. Integer Charge Transfer |
| Date | Speaker | Title |
|---|
| 25 March 2013 | Igor | Numeric atom-centered basis set with valence correlation consistency from H to Ar |
| 29 April 2013 | Norina | Concentrations of vacancies at metal oxide surfaces - Case Study of MgO (100) |
| 7 May 2013 | Carsten | How cations change peptide structure -- Insights from theoretical and experimental infrared spectroscopy |
| Date | Speaker | Title |
|---|
| 3 September 2012 | Christoph Wehmeyer | Employing natural search strategies for complex optimization problems |
| 10 September 2012 | Eric | Evolutionary Free-Energy Global Minimum Search for Atomic Clusters |
| 17 September 2012 | Johannes | Towards the Regularisation of the N-Body Problem in Quantum Mechanics |
| 24 September 2012 | Alexander K | To the self consistent GW and beyond |
| 1 October 2012 | Yingyu | A Brief Introduction to NEB |
| 15 October 2012 | Tanja | Extracting many-body populations and coherences from pump-probe spectroscopy |
| 22 October 2012 | Nicola | The Role of van der Waals Interactions for Model Hybrid Inorganic/Organic Systems (HIOS) |
| 29 October 2012 | Guo-Xu | Understanding the role of vdW forces for the cohesive properties of solids |
| 5 November 2012 | Yang | Beyond Born-Oppenheimer: Nonadiabatic Dynamics |
| 12 November 2012 | Heiko & Steffen | Special discussion: Current queue structure and resource allocation on THNEC |
| 19 November 2012 | Adriana | A conformational search strategy for organic molecules - application to catalyst design |
| 3 December 2012 | Wei | Precursor and chemisorption state for organic molecules on transition-metal surfaces |
| 17 December 2012 | Saswata | Stability and Meta-Stability of MgM Ox clusters in Reactive Environment: Fundamental Issues and Challenges |
| 14 January 2013 | Tom Berlijn | Wannier Function Based First Principles Methods for Disordered Systems |
| 28 January 2013 | Honghui | Electron-phonon coupling at hybrid inorganic/organic interfaces |
| 18 February 2013 | Mark | Towards periodic RPA in FHI-aims |
| 25 February 2013 | Alex Mazheika | Adsorption of Ag clusters on TiO2 surface and NO-conversion on such systems |
Spring term 2012
| Date | Speaker | Title |
|---|
| 7 May 2012 | Xunhua | Genetic algorithm for adsorbed molecules at low coverages |
| 14 May 2012 | Matti | Ion-peptide interaction |
| 4 June 2012 | Wael | An embedding scheme for first principles electronic structure calculations using DMFT |
| 11 June 2012 | Anthony | Understanding the importance of dispersion interactions in molecular crystals |
| 18 June 2012 | Sergey Filimonov | Nucleation and growth of 2D islands on reconstructed surfaces |
| 25 June 2012 | Suchi | Microsolvation of bio-molecules |
| 2 July 2012 | Katja | A general introduction to machine learning |
| 9 July 2012 | Wang | Quantitative Theory of Physisorption on Graphitic materials: N2 on Graphene and Graphite |
| 16 July 2012 | Alberto | Quantum Monte Carlo study of confined electron systems in presence of Rashba spin-orbit interaction |
