Theses
In our group we offer a broad range of final theses to motivated students.
If you are interested in doing a BSc / MSc thesis or internship, take a look at our Research Projects and current Thesis Offers as below and don’t hesitate to contact us to ask for a thesis topic in your field of interest.
Currently Available Theses
- Machine learning to predict superconductor critical temperatures
MA (physicist). Supervisor: Gagliardi, A. - Extension and Optimization of our kinetic Monte Carlo Simulation Tool for Organic Semiconductors
MA. Supervisor: Gagliardi, A.; Rinderle, M. - Theoretical investigation of Dye on Pervoskite Tandem Solar Cells
MA. Supervisor: Gagliardi, A.; Singh, A. - Efficiency of Perovskite-Perovskite Tandem Solar Cells
MA: Supervisor: Alessio Gagliardi, Ajay Singh - Modelling of transport properties of advanced van der Waals heterostacks
MA: Supervisor: Alessio Gagliardi, Ursula Wurstbauer & Alexander Holleitner (Walter Schottky Institut) - Thermoelectric devices using core-shell nanowires
MA: Supervisor: Alessio Gagliardi, Gregor Koblmueller
Completed Theses
- Software-Entwicklung für Automobil-Test-Automatisierung und Tooling Anwendungen im Bereich Fahrer-Assistenzsyteme
IP: dated 05/2022, Supervisor: Alessio Gagliardi, Felix Mayr - Quantum Dot Property Prediction Using Bayesian Neural Networks
IP: dated 04/2022, Supervisor: Alessio Gagliardi, Ioannis Kouroudis - Machine Learning aided time series prediction for calcium concentration in cells
BA: dated 03/2022, Supervisor: Alessio Gagliardi, Ioannis Kouroudis - Feature dimensionality reduction of organic molecule representations for Machine Learning applications
BA: dated 03/2022, Supervisor: Alessio Gagliardi, Michael Rinderle - Prediction of Properties of Rubber Compounds in Tire Industry by Machine Learning Models
FP: dated 02/2022, Supervisor: Alessio Gagliardi, Ioannis Kouroudis - Erstellung und Entwicklung einer webbasierten Software zur Auswertung von UV/VIS-Messdaten von Mikroplatten-Readern
IP: dated 02/2022, Supervisor: Alessio Gagliardi, Felix Mayr - A differentiable framework for surrogate models of periodic systems in PyTorch
BA: dated 02/2022, Supervisor: Alessio Gagliardi, Ioannis Kouroudis - Computing Charge Transfer Integrals for Polymers - Using Fragment Orbital Density Functional Theory
MA: dated 11/2021, Supervisor: Alessio Gagliardi, Michael Rinderle - Testautomatisierung für Fahrer-Assistenzsysteme (Python Dev, API, GUI)
IP: dated 10/2021, Supervisor: Alessio Gagliardi, Felix Mayr - Creation and Benchmarking of a customized TorchANI model
Machine Learning Energy Potentials and Molecular Dynamics
BA: dated 09/2021, Supervisor: Alessio Gagliardi, Felix Mayr - Compute the Electronic Coupling of Organic Semiconductor Molecules using Constrained Density Functional Theory
BA: dated 06/2021, Supervisor: Alessio Gagliardi, Michael Rinderle - DFT-based computation of the transfer integral between organic semiconductor molecules
BA: dated 05/2021, Supervisor: Alessio Gagliardi, Felix Mayr - Calculation of Electrostatic Interactions in 2D Slab Geometries via MMM2D
BA: dated 03/2021, Supervisor: Alessio Gagliardi, Manuel Gößwein - Transition Metal Perovskites as Bifunctional ORR and OER Electrocatalysts Screened by DFT and Machine Learning
MA: dated 02/2021, Supervisor: Alessio Gagliardi, Felix Mayr - Machine Learning for the Investigation of 2D-perovskite Energy Band Gaps
MA: dated 01/2021, Supervisor: Alessio Gagliardi, Felix Mayr - Simulation of Electrostatic Interactions via Particle-Particle Particle-Mesh and Ewald Summation
BA: dated 11/2020, Supervisor: Alessio Gagliardi, Manuel Gößwein - Kinetic Monte Carlo Simulation of the Organic-Aqueous Electrolyte Interface
A first step towards elucidating charge transfer mechanisms
MA: dated 01/2020, Supervisor: Alessio Gagliardi, Waldemar Kaiser, Marlon Rück - Simulation of Core-Shell Nanowires for Thermoelectric Applications
MA: dated 01/2020, Supervisor: Alessio Gagliardi, Waldemar Kaiser - Comparison of Machine Learning Algorithms for IoT Applications on Low Power Microcontrollers
BA: dated 12/2019, Supervisor: Alessio Gagliardi, Michael Rinderle - Kinetic Monte Carlo Simulation of the Organic/Aqueous Electrolyte Interface: A first step towards elucidating charge transfer mechanisms
MA: dated 11/2019, Supervisor: Alessio Gagliardi, Marlon Rück - Kinetic Monte Carlo Simlation for Oxygen Reduction Reaction in Proton-Exchange Membrane Fuel Cells
MA: dated 10/2019, Supervisor: Alessio Gagliardi, Marlon Rück - Kinetic Monte Carlo Simulation of Filament Formation in Memristive Devices
MA: dated 08/2019, Supervisor: Alessio Gagliardi, Michael Rinderle - A Kinetic Monte Carlo Model for the Oxygen Reduction Reaction in Proton-Exchange Membrane Fuel Cells
FP: dated 04/2019, Supervisor: Alessio Gagliardi, Marlon Rück - Simulation of Core-Shell Nanowires
FP: dated 04/2019, Supervisor: Alessio Gagliardi, Waldemar Kaiser - Injection Models for Kinetic Monte Carlo modelling of Bulk-Heterojunction Organic Solar Cells
FP: dated 03/2019, Supervisor: Alessio Gagliardi, Waldemar Kaiser - Modelling of Recombination Losses in Organic Solar Cells
BA: dated 03/2019, Supervisor: Alessio Gagliardi, Waldemar Kaiser - Industrial placement at OPV applications, Merck
FP: dated 11/2018, Supervisor: Alessio Gagliardi - Semi-automatic solution for photoelectric-sensor testing-rail
IP: dated 10/2018, Supervisor: Alessio Gagliardi - Simulation of Core-Shell Nanowires
FP: dated 10/2018, Supervisor: Alessio Gagliardi, Waldemar Kaiser - Kinetic Monte Carlo Modeling of Exciton Dynamics in Organic Solar Cells
MA: dated 09/2018, Supervisor: Alessio Gagliardi - Machine Learning Bandgaps of Inorganic Lead-Free Mixed Halide Perovskites for Photovoltaic Applications
MA: dated 09/2018, Supervisor: Alessio Gagliardi, Aliaksandr Bandarenka - Multiscale Modelling of Charge Transport in Organic Semiconductors Utilizing the Concept of Machine Learning
MA: dated 06/2018, Supervisor: Alessio Gagliardi, Alexander Holleitner - Research Internship Report on Contact Models for Organic Solar Cells
FP: dated 03/2018, Supervisor: Alessio Gagliardi, Waldemar Kaiser - Polymer Chains in Kinetic Monte Carlo Simulation
BA: dated 11/2017, Supervisor: Alessio Gagliardi, Aliaksandr Bandarenka - MOVPE Growth and Characterization of GaInAsSb for the Integration in 4-Junction Solar Cells
MA: dated 11/2017, Supervisor: David Lackner EFTH, Alessio Gagliardi - Mapping of Trap Densities in Pentacene through Modelling and Simulation of 2D-Resistive Network
FP: dated 08/2017, Supervisor: Alessio Gagliardi, Mohammed Darwish - Charge Carrier Transport in Organic Semiconductor Devices: Establishing a Connection between kinetic Monte Carlo and Drift Diffusion Models
BA: dated 03/2017, Supervisor: Alessio Gagliardi, Tim Albes - Mapping of Trap Densities in Pentacene through Modelling and Simulation of 2D-Resistive Network
BA: dated 03/2017, Supervisor: Alessio Gagliardi, Mohammed Darwish - Modeling and Simulation of the Organophosphonate Molecules on Silicon/Aluminium Oxide Substrate by Use of the DFT
BA: dated 10/2016, Supervisor: Alessio Gagliardi, Mohammed Darwish - Visualization of Local Current Densities in Bulk-Heterojunction Organic Solar Cells
BA: dated 06/2016, Supervisor: Alessio Gagliardi, Tim Albes - Statistical Evaluation of Charge Carrier Dynamics in Organic Solar Cells
BA: dated 06/2016, Supervisor: Alessio Gagliardi, Tim Albes - Mesh Processing of Complex Morphologies in Solar Cells for Finite Element Simulation
MA: dated 11/2015, Supervisor: Alessio Gagliardi - Quantum Transport through monolayer of organophosphonate molecules on silicon/silicon oxide substrates
MA: dated 07/2015, Supervisor: Alessio Gagliardi - Validierungstests einer Motorsteuerung
IP: dated 02/2015, Supervisor: Alessio Gagliardi, Stephan Huber - Study on Perovskite Photodiodes
IP: dated 12/2014, Supervisor: Alessio Gagliardi, Aldo Di Carlo - Kinetic Monte Carlo Modelling of Bulk-Heterojunction Organic Solar Cells
DA: dated 05/2014, Supervisor: Alessio Gagliardi
MA: Master Thesis, BA: Bachelor Thesis, DA: Diploma Thesis,
FP: Forschungspraxis, IP: Ingenieurpraxis