Seminar Series SNEminar

Simulation of Nanosystems for Energy Conversion

Summer Term 2022

Fri 03.06.2022 @ exactly 11:oo-12:oo a.m. via Zoom
"A pytorch-geometric tutorial with the MoleculeNet-dataset"
Ioannis Kouroudis, M.Sc. SNE, Technische Universität München, München, Germany
 

Fri 27.05.2022 @ exactly 11:oo-12:oo a.m. via Zoom
"How to setup a python environment for machine learning?"
Gohar Ali Siddiqui, M.Sc.,  SNE, Technische Universität München, München, Germany


Fri 20.05.2022 @ exactly 11:oo-12:oo a.m. via Zoom
"How to manage a project with git"
Michael Rinderle, M.Sc.,  SNE, Technische Universität München, München, Germany


Fri 13.05.2022 @ exactly 11:oo-12:oo a.m. via Zoom
"introduction to graph neural networks"
Felix Mayr, Ioannis Kouroudis, M.Sc. SNE, Technische Universität München, München, Germany


Fri 08.04.2022 @ exactly 11:oo-12:3o a.m. via Zoom
"Quantum Dot property prediction using Bayesian Neural Networks"
Filip Wennberg, SNE, Technische Universität München, München, Germany

Past Events

Fri 04.02.2022 @ exactly 16:oo-17:oo a.m. via Zoom
"Differentiable graph-models for surrogate modeling"
Georgios Michalopoulos, SNE, Technische Universität München, München, Germany

 

Fri 21.01.2022 @ exactly 11:oo-12:oo a.m. via Zoom
"Potential Applications of Physics Informed Neural Networks"
Ioannis Kouroudis, SNE, Technische Universität München, München, Germany

 

Fri 14.01.2022 @ exactly 11:oo-12:oo a.m. via Zoom
"Introduction to Metropolis Monte Carlo and Spin Exchange"
Manuel Gößwein, M.Sc., SNE, Technische Universität München, München, Germany

 

Fri 17.12.2021 @ exactly 11:oo-12:oo a.m. via Zoom
"Metadynamics"
Gohar Ali Siddiqui, SNE, Technische Universität München, München, Germany


Fri 03.12.2021 @ exactly 11:oo-12:oo a.m. via Zoom
"Equation discovery with physically informed networks"
Gohar Ali Siddiqui, SNE, Technische Universität München, München, Germany
 

Fri 26.11.2021 @ exactly 11:oo-12:oo a.m. via Zoom
"Equation discovery with physically informed networks"
Ms. Poonam, M.Sc., SNE, Technische Universität München, München, Germany
 

Fri 19.11.2021 @ exactly 11:oo-12:oo a.m. via Zoom
Open Session: Another SNEminar session working on kMC
Michael Rinderle, M.Sc., SNE, Technische Universität München, München, Germany

 

Fri 12.11.2021 @ exactly 11:oo-12:oo a.m. via Zoom
"Hands on kinetic monte carlo simulation"
Ioannis Kouroudis, SNE, Technische Universität München, München, Germany


Fri 05.11.2021 @ exactly 11:oo-12:oo a.m. via Zoom
"Kinetic Monte Carlo Simulation for Organic Semiconductors"
Michael Rinderle, M.Sc., SNE, Technische Universität München, München, Germany

 

Fri 29.10.2021 @ exactly 11:oo-12:oo a.m. via Zoom
"Tutorial on simple physics-based deep learning models using PyTorch"
Felix Mayr, M.Sc. SNE, Technische Universität München, München, Germany


Fri 22.10.2021 @ exactly 11:oo-12:oo a.m. via Zoom
"Physically informed machine learning"
Ioannis Kouroudis, SNE, Technische Universität München, München, Germany

Fri 05.03.2021 @ exactly 15:oo a.m. via Zoom
"Role of interface energetics in Organic Solar Cells"
Kashif Hussain, SNE, Technische Universität München, München, Germany


Fri 23.02.2021 @ exactly 12:oo a.m. via Zoom
Special Edition: "Transition Metal Perovskites as Bifunctional ORR and OER Electrocatalysts Screened by DFT and Machine Learning"                                       "
Hsing Yu (Fred) Lo, Supervisor: Felix Mayr, M.Sc., SNE, Technische Universität München, München, Germany


Fri 19.02.2021 @ exactly 11:oo a.m. via Zoom
"Scalable fabrication of pervoskite-based solar cells and possible routes to optimization via machine learning"
Milan Harth, M.Sc., SNE, Technische Universität München, München, Germany


Fri 12.02.2021 @ exactly 11:oo a.m. via Zoom
"Application of Design Patterns in kinetic Monte Carlo Simulations"
Manuel Gößwein, M.Sc., SNE, Technische Universität München, München, Germany


Fri 05.02.2021 @ exactly 11:oo a.m. via Zoom
"A (Literature) Perspective on MOFs at SNE"
Felix Mayr, M.Sc. SNE, Technische Universität München, München, Germany

 

Fri 29.01.2021 @ exactly 11:oo a.m. via Zoom
Open Session: Creating actual LaTeX-templates inoffically conforming to the official Corporate-Design (CD)-guidelines
Michael Rinderle, M.Sc., SNE, Technische Universität München, München, Germany


Fri 22.01.2021 @ exactly 11:oo a.m. via Zoom
"Machine learning Optimizations for Remaining lifetime estimation"
Ioannis Kouroudis, SNE, Technische Universität München, München, Germany

 

Fri 15.01.2021 @ exactly 11:oo a.m. via Zoom
Open Session: New SNE colleagues and projects
PhD students, SNE, Technische Universität München, München, Germany


Fri 11.12.2020 @ exactly 11:oo a.m. via Zoom
"Smooth Perovskite Films for Transparent Solar Cells"
Ajay Singh, M.Sc., SNE, Technische Universität München, München, Germany
 

Fri 04.12.2020 @ exactly 11:oo a.m. via Zoom
"AlphaFold2: protein-folding solved?"
Felix Mayr, M.Sc. SNE, Technische Universität München, München, Germany


Fri 27.11.2020 @ exactly 11:oo a.m. via Zoom
Open Session: Questions on software, final benchmark results
PhD students, SNE, Technische Universität München, München, Germany


Fri 20.11.2020 @ exactly 11:oo a.m. via lrz
"Deep learning molecular properties using hybridisation of descriptors"
Obaidur Rahaman, Dr., SNE, Technische Universität München, München, Germany

 

Fri 13.11.2020 @ exactly 11:oo a.m. via lrz
Special Edition: "Simulation of Electrostatic Interactions via Particle-Particle Particle-Mesh and Ewald Summation"
Cedrik Laue, Supervisor: Manuel Gößwein, M.Sc., SNE, Technische Universität München, München, Germany


Fri 06.11.2020 @ exactly 12:oo a.m. via lrz
Open Session: Introductory presentation on new server setup
Michael Rinderle, M.Sc., & Felix Mayr, M.Sc., SNE, Technische Universität München, München, Germany

 

Fri 16.07.2021 @ exactly 11:oo a.m. via Zoom
"Including Substrate Losses and Noise in a Quantum Mechanical Model of a Josephson Traveling-Wave Parametric Amplifier"
Michael Haider, M.Sc., CPH, Technische Universität München, München, Germany


Fri 25.06.2021 @ exactly 11:oo a.m. via Zoom
“Predicting polarizabilities along MD trajectories”
Manuel Grumet Theory of Functional Energy Materials (TheoFEM), Technische Universität München, München, Germany


Fri 18.06.2021 @ exactly 11:oo a.m. via Zoom
"A literature review on a series of papers and a critical evaluation of the points raised on the pitfalls of doing ML for drug screening"
Andreas Bender, Centre for Molecular Informatics, Department of Chemistry, University of Cambridge, Cambridge, United Kingdom


Fri 11.06.2021 @ exactly 11:oo a.m. via Zoom
"Kinetic Monte Carlo Simulation of the Space Charge Formation in Solid Electrolytes"
Manuel Gößwein, M.Sc., SNE, Technische Universität München, München, Germany


Fri 04.06.2021 @ exactly 11:oo a.m. via Zoom
Presentation “Compute the Electronic Coupling of Organic Semiconductor Molecules using Constrained Density Functional Theory”
Leon Müller, SNE, Technische Universität München, München, Germany
 

Fri 14.05.2021 @ exactly 11:oo a.m. via Zoom
Presentation “DFT-based computation of the transfer integral between organic semiconductor molecules”
Noemi Csik,  SNE, Technische Universität München, München, Germany


Fri 07.05.2021 @ exactly 11:oo a.m. via Zoom
"Multistock predictions using LSTM-RNN"
Milan Harth, M.Sc., SNE, Technische Universität München, München, Germany


Fri 30.04.2021 @ exactly 11:oo a.m. via Zoom
"Introduction of the GitLab services"
Michael Rinderle, M.Sc., SNE, Technische Universität München, München, Germany


Fri 23.04.2021 @ exactly 11:oo a.m. via Zoom
Presentation of PhD Thesis:-) "Kinetic Monte Carlo Study of Charge and Exciton Transport in Organic Solar Cells"
Waldemar Kaiser, M.Sc., SNE, Technische Universität München, München, Germany


Fri 16.04.2021 @ exactly 11:oo a.m. via Zoom
"A survey of Python frameworks to generate MOF-structures"
Felix Mayr, M.Sc. SNE, Technische Universität München, München, Germany


Fri 09.04.2021 @ exactly 11:oo a.m. via Zoom
"An Introduction to Gaussian Processes"
Ioannis Kouroudis, SNE, Technische Universität München, München, Germany

Fri 06.03.2020 @ exactly 11:oo Room 3010
"A glim of experiments: Developing a new route to fabricate CH3NH3PbBr3 perovskite solar cells"
Ajay Singh, M.Sc., SNE, Technische Universität München, München, Germany


Fri 28.02.2020 @ exactly 11:oo Room 3010
"Non-equilibrium thermodynamics - finally solved :-)"
Waldemar Kaiser, M.Sc., SNE, Technische Universität München, München, Germany

Fri 21.02.2020 @ exactly 11:oo Room 3010
Open Session: Presentation at NIPH020
Felix Mayr, M.Sc., SNE, Technische Universität München, München, Germany
 

Fri 07.02.2020 @ exactly 14:oo Room 3010
"Transport rates in organic materials from first principles"
Felix Mayr, M.Sc. & Obaidur Rahaman, Dr., SNE, Technische Universität München, München, Germany


Fri 31.01.2020 @ exactly 11:oo Room 3010
"Abinito-MD to hybrid perovskites"
Waldemar Kaiser, M.Sc., SNE, Technische Universität München, München, Germany


Fri 24.01.2020 @ exactly 11:oo Room 3010
"Simulation of Core-Shell Nanowires for Thermoelectric Applications"
Kaan Özer Agis, B.Sc., SNE, Technische Universität München, München, Germany


Fri 17.01.2020 @ exactly 11:oo Room 3010
"Academic Writing made easy"
Waldemar Kaiser, M.Sc., SNE, Technische Universität München, München, Germany


Fri 13.12.2019 @ exactly 11:oo Room 3010
"Graph neural network"
Obaidur Rahaman, Dr., SNE, Technische Universität München, München, Germany

 

Fri 09.12.2020 @ exactly 11:oo Room 3010
"Comparison of Machine Learning algorithms for IoT application on Low Power Microcontrollers"
Menayl Shah, M.Sc., SNE, Technische Universität München, München, Germany

 

Fri 29.11.2020 @ exactly 11:oo Room 3010
"Kinetic Monte Carlo Simulation of the Organic / Aqueous Electrolyte Interface"
Manuel Gößwein, M.Sc., SNE, Technische Universität München, München, Germany



Fri 22.11.2019 @ exactly 11:oo Room 3010
"Recent progress in organic solar cells"
Kashif Hussain, M.Sc., SNE, Technische Universität München, München, Germany


Fri 08.11.2019 @ exactly 11:oo Room 3010
"From Data-Driven Electrocatalyst Design to Experimental Synthesis for Efficient Oxygen Reduction in Hydrogen Fuel Cells"
Marlon Rück, M.Sc., SNE, Technische Universität München, München, Germany


Fri 25.10.2019 @ exactly 11:oo Room 3010
Open Session: CECAM workshop on "Machine learning for quantum chemistry"
Felix Mayr, M.Sc. & Michael Rinderle, M.Sc., SNE, Technische Universität München, München, Germany


Fri 14.10.2020 @ exactly 14:3o Room 3010
„Kinetic Monte Carlo Simulations of the Oxygen Reduction Reaction in Proton-Exchange Membrane Fuel Cells“
Suyan Deng, B.Sc., SNE, Technische Universität München, München, Germany

Fri 24.07.2020 @ exactly 11:oo a.m. via Zoom
"Kinetic Monte Carlo Simulations of Nanoparticle-Enhanced Exciton Diffusion in Organic Solar Cells"
Karin Thalmann, B.Sc., SNE, Technische Universität München, München, Germany

 

Fri 10.07.2020 @ exactly 11:oo a.m. via Zoom
"Treatment of Electrostatic Interactions in kMC Simulations - Fundamentals and Efficient Implementation"
Manuel Gößwein, M.Sc., SNE, Technische Universität München, München, Germany

 

Fri 03.07.2020 @ exactly 11:oo a.m. via Zoom
"2D perovskite on silicon: Inorganic-organic hybrid nanocomposites for optoelectronic applications"
Ajay Singh,
M.Sc., SNE, Technische Universität München, München, Germany

 

Fri 03.07.2020 @ exactly 11:oo a.m. via Zoom
"Summary of Electrostatic Flavors"
Manuel Gößwein,
M.Sc., SNE, Technische Universität München, München, Germany

 

Fri 19.06.2020 @ exactly 11:oo a.m. via Zoom
"Using Autoencoders to predict the bandgap of 2D Perovskites"
Lukas Schramm, B.Sc., SNE, Technische Universität München, München, Germany


Fri 12.06.2020 @ exactly 11:oo a.m. via Zoom
"Origin of Charge Transport in Small Molecule Dilute Donor Solar Cells"
Waldemar Kaiser, M.Sc., SNE, Technische Universität München, München, Germany


Fri 29.05.2020 @ exactly 11:oo a.m. via Zoom
"Modeling of Viruses"
Obaidur Rahaman, Dr., SNE, Technische Universität München, München, Germany


Fri 15.05.2020 @ exactly 2.oo p.m. via Zoom
"Coarse-graining - a way to enable ML for large molecules/polymers?"
Michael Rinderle, M.Sc., SNE, Technische Universität München, München, Germany


Fri 07.05.2020 @ exactly 11.oo a.m. via Zoom
'Role of Interfaces on the Performance of Organic Solar Cells'
Kashif Hussain, M.Sc., SNE, Technische Universität München, München, Germany


Fri 24.04.2020 @ exactly 11.oo a.m. via Zoom
"Ensemble Monte Carlo Simulations: Towards Optimization of Quantum Cascade Laser (QCL) Structures" 
Michael Haider, Dr., CPH, Technische Universität München, München, Germany


Fri 17.04.2020 @ exactly 11.oo a.m. via Zoom
"Quantum Field Theory"
Marlon Rück, M.Sc., SNE, Technische Universität München, München, Germany

 

Fri 09.04.2020 @ exactly 11.oo a.m. via Zoom
Open Session: Online Lectures
PhD students, SNE, Technische Universität München, München, Germany

 

Fri 03.04.2020 @ exactly 11.oo a.m. via Zoom
"Acceleration Scheme for Diffusion-Reaction Monte Carlo Simulations"
Manuel Gößwein, M.Sc., SNE, Technische Universität München, München, Germany

 

 

Fri 25.03.2019 @ exactly 11:oo Room 3010
"Modelling of recombination losses in organic solar cells"
Karin Thalmann, M.Sc., SNE, Technische Universität München, München, Germany

 

Fri 15.03.2019 @ exactly 11:oo Room 3010
"Simulation of charge transport in silicon nanocrystal networks"
Waldemar Kaiser, M.Sc., SNE, Technische Universität München, München, Germany

 

Fri 11.03.2019 @ exactly 11:oo Room 3010
"kMC simulation of filament formation in memristive devices"
Hakan Boysan, B.Sc., SNE, Technische Universität München, München, Germany


Fri 08.03.2019 @ exactly 12:oo Room 3010
"From Quantum Mechanics to Effective Quantum Field Theory (Part 1)"
Marlon Rück, M.Sc., SNE, Technische Universität München, München, Germany
 


Fri 22.02.2019 @ exactly 11:oo Room 3010
"Machine learning approaches in materials science"
Waldemar Kaiser, M.Sc. & Michael Rinderle, M.Sc., SNE, Technische Universität München, München, Germany

 

Fri 15.02.2019 @ exactly 12:3o Room 3010
"Quantumwise -- a short guide for atomistic simulations"
Mohammed Darwish, M.Sc., SNE, Technische Universität München, München, Germany


Fri 08.02.2019 @ exactly 11:oo Room 3010
"Perovskite--Perovskite tandem solar cells"
Ajay Singh, M.Sc., SNE, Technische Universität München, München, Germany


Fri 01.02.2019 @ exactly 11:oo Room 3010
"Perovskites, Italian Sunlight & Catalysis: How our group is driving the path toward next-generation artificial photosynthesis"
Marlon Rück, M.Sc., SNE, Technische Universität München, München, Germany


Fri 25.01.2019 @ exactly 11:oo Room 3010
"Machine learning for predicting charge transfer integrals in organic thin films"
Michael Rinderle, M.Sc., SNE, Technische Universität München, München, Germany


Fri 18.01.2019 @ exactly 15:oo Room 3010
Open Session: Literature Review
Mohammed Darwish, M.Sc. & Kashif Hussain, M.Sc.  & Ajay Singh, M.Sc., SNE, Technische Universität München, München, Germany


Fri 14.12.2018 @ exactly 12:oo Room 3010
"Recombination in organic solar cells"
Karin Thalmann, B.Sc., SNE, Technische Universität München, München, Germany


Fri 07.12.2018 @ exactly 11:oo Room 3010
"Investigating the formation of electrochemical double layers: A particle-based kMC approach"
Tim Albes, M.Sc., SNE, Technische Universität München, München, Germany


Fri 23.11.2018 @ exactly 11:oo Room 3010
"Interface Electrostatics of Dye Solar: A drift-Diffusion Analysis"
Ajay Singh, SNE, Technische Universität München, München, Germany

 

Fri 16.11.2018 @ exactly 11:oo Room 3010
"Resistor network model for organic thin films"
Mohammed Darwish, M.Sc., SNE, Technische Universität München, München, Germany


Fri 09.11.2018 @ exactly 11:oo Room 3010
Open Session: Literature Review
Waldemar Kaiser, M.Sc., Marlon Rück, M.Sc., Michael Rinderle,M.Sc., SNE, Technische Universität München, München, Germany

 

Fri 26.10.2018 @ exactly 11:oo Room 3010
"Kinetic Monte Carlo simulations for perovskite solar cells"
Waldemar Kaiser, M.Sc., SNE, Technische Universität München, München, Germany

 

Fri 19.10.2018 @ exactly 11:oo Room 3010
"Thermoelectric Nanowires simulation with TiberCAD"
Kaan Özer, M.Sc., SNE, Technische Universität München, München, Germany

 

Fri 12.10.2018 @ exactly 11:oo Room 3010
"Hole transport in diluted OPVs"
Kashif Hussain, M.Sc., SNE, Technische Universität München, München, Germany

 

Fri 04.10.2018 @ exactly 14:oo Room 3010
"Machine learning for perovskite bandgaps"
Jared Stanley, M.Sc., SNE, Technische Universität München, München, Germany

Fri 26.07.2019 @ exactly 15:oo Room 3010
"A multi-particle drift-diffusion model and its application to organic LEDs"
Matthias auf der Maur
, University of Rome "Tor Vergata"


Fri 19.07.2019 @ exactly 14:oo Room 3010
"Development of reactive force field ReaxFF: making classical simulations more realistic"
Obaidur Rahaman, Dr., SNE, Technische Universität München, München, Germany


Fri 12.07.2019 @ exactly 11:3o Room 3010
Open Session: Literature Review
Felix Mayr, M.Sc. & Michael Rinderle, M.Sc., SNE, Technische Universität München, München, Germany


Fri 05.07.2019 @ exactly 14:oo Room 3010
"Kinetic Monte Carlo Simulation for Fuel Cells"
Suyuan Deng, B.Sc., SNE, Technische Universität München, München, Germany

 
Fri 28.06.2019 @ exactly 14:oo Room 3010
"Non-equilibrium efficiency study of organic solar cells using stochastic thermodynamics"
Waldemar Kaiser, M.Sc., SNE, Technische Universität München, München, Germany


Fri 05.06.2019 @ exactly 13:3o Room 3010
"Spack and Easybuild - automating software deployment and keeping track of versions"
Felix Mayr, M.Sc., SNE, Technische Universität München, München, Germany


Mon 27.05.2019 @ exactly 11:oo Room 3010
"Fermions in the Grassmann Formalism and Effective Field Theory"
Marlon Rück, M.Sc., SNE, Technische Universität München, München, Germany


Mon 24.05.2019 @ exactly 11:oo Room 3010
"Charge transfer mechanisms in diluted donor OPVs"
Kashif Hussain, M.Sc., SNE, Technische Universität München, München, Germany


Mon 20.05.2019 @ exactly 11:oo Room 3010
"Introduction to Quantum Field Theory"
Marlon Rück, M.Sc., SNE, Technische Universität München, München, Germany


Fri 10.05.2019 @ exactly 11:oo Room 3010
"3D Simulation of Ion Migration"
Waldemar Kaiser, M.Sc., SNE, Technische Universität München, München, Germany


Fri 03.05.2019 @ exactly 11:oo Room 3010
"Drift-Diffusion simulation model for OFETs"
Mohammed Darwish, M.Sc., SNE, Technische Universität München, München, Germany


Fri 12.04.2019 @ exactly 11:oo Room 3010
"Modelling an exemplary GaN-bipyridine interface with Quantum Espresso"
Felix Mayr, M.Sc., SNE, Technische Universität München, München, Germany

 

Fri 05.04.2019 @ exactly 11:oo Room 3010
"Kinetic Monte Carlo Simulation of the Oxygen Reduction Reaction in Proton-Exchange Membrane Fuel Cells - A theoretical model"
Manuel Gößwein,
B.Sc., SNE, Technische Universität München, München, Germany

Fri 02.03.2018 @ exactly 14:3o Room 3010
Open Session: Literature Review
PhD students, SNE, Technische Universität München, München, Germany

Fri 26.09.2018 @ exactly 14:oo Room 3010
"Cross-plane transport in van der Waals heterostructures - a DFT analysis"
Petra Matunovà, WSI, Holleitner Group, Garching,Technische Universität München, München, Germany


Fri 19.09.2018 @ exactly 11:oo Room 3010
"Oxygen Reduction Reaction: Rapid Prediction of Mass Activity of Nanostructured Platinum Electrocatalysts"
Marlon Rück, M.Sc., SNE, Technische Universität München, München, Germany


Fri 14.09.2018 @ exactly 11:oo Room 3010
"Server infrastructure and our job queueing system SLURM"
Michael Rinderle, M.Sc., SNE, Technische Universität München, München, Germany

 

Fri 09.07.2018 @ exactly 14:oo Room 3010
"Kinetic Monte Carlo modeling of exciton dynamics in organic solar cells"
Johannes Popp, M.Sc., CPH, Technische Universität München, München, Germany

 

Fri 10.04.2018 @ exactly 14:oo Room 3010
"Machine learning for perovskite bandgaps"
Jared Stanley, M.Sc., SNE, Technische Universität München, München, Germany


Fri 02.03.2018 @ exactly 14:3o Room 3010
Open Session: Literature Review
PhD students, SNE, Technische Universität München, München, Germany