Theses on the topic of quantum computing

Currently, all thesis topics are already assigned. New theses will be announced by mid-2024.

Stochastic Gradient Line Bayesian Optimization (SGLBO) for Quantum Computing (B.Sc.)

Current algorithms for quantum computers are based on so-called variational approaches. In this process, quantum gates - the programmable building blocks of quantum computers - are parameterized with variables and numerically optimized using conventional computers. To do this, gradient-based methods are often applied. However, noise poses a particular challenge when it comes to optimization due to the probabilistic nature of quantum physics, as well as the significant measurement noise of today’s error-prone hardware. Optimization methods for quantum algorithms must therefore be able to deal with noise.

This is where machine learning optimization methods come into play. A highly promising optimization approach is Stochastic Gradient Line Bayesian Optimization (SGLBO). This uses a machine learning method (Bayesian Optimization) to control the optimization step by step. A recent publication demonstrated how this can give quantum algorithms an advantage over other optimization methods. This bachelor thesis will examine to what extent quantum neural networks can be optimized using the SGLBO method. Quantum neural networks function like artificial neural networks, but they are run on a quantum computer. In the first part of the thesis, the SGLBO method will be implemented and tested in Python. This will be followed by a comparison with other previously-implemented optimization methods under different noise influences.
 Finally, the thesis will assess how well the optimization works on IBM's real quantum computing hardware. The thesis provides an exciting opportunity to address current optimization challenges using quantum computing and to make an important contribution in this field. Prior knowledge of numerical optimization is a great advantage, as well as a general interest in the topics of quantum computing and machine learning.

Quantum Kernel Methods for Solving Differential Equations (B.Sc, M.Sc)

In the DEGRAD-EL3-Q project, we are investigating how quantum computing methods can be used to analyze the lifetime of electrolyzers. The project is part of the lead project H2Giga and aims at advancing the industrial manufacturing process of electrolyzers. The mathematical description of how electrolyzers behave in operation can be modeled by differential equations. In this project, we want to explore the extent to which quantum kernel methods can be used to solve differential equations. In addition, a systematic comparison will be made with the quantum neural networks also studied in the project. This is an exciting and forward-looking topic in the superposition state of quantum computing and hydrogen research.

Evaluating the Use of Quantum Graph Neural Networks to Predict Molecular Properties (M.Sc.)

Scalable and cost-effective solutions for storing renewable energy are essential if we are to meet the world's increasing energy demand and simultaneously mitigate climate change. The conversion of electricity to hydrogen, as well as the reverse combustion process, can play an important role. To make catalysis processes in hydrogen production efficient, new materials are constantly being studied. Machine learning methods are already being used to simulate and calculate catalysis properties. Graph-based neural networks (GNN) are proving to be particularly promising in this respect. Since the prediction of potential surfaces and other relevant properties takes place at molecular and atomic level, the use of quantum computers is also being considered. First approaches to implement GNNs on quantum computers have already been published. The objective of the master thesis is to determine the suitability of quantum GNNs for predicting molecular properties. To this end, depending on prior knowledge, an understanding of GNNs, as well as some basic knowledge of quantum computing, must first be acquired. In-depth knowledge of electrocatalysis is not necessarily required. Towards the end of the master thesis, the developed approaches can be tested and evaluated on a real quantum computer.