Thesis subjects 2021-2022
Below are the thesis subjects for 2021-2022. Filter below on study programme and/or subject category. Press 'reset' to start over. The topics below have been submitted and are subject to approval of the educational committees.
- Supervisor(s): V. Van Speybroeck, T. Verstraelen /25470 / Model and software developmentBackground and problem Over the past three decades, metal-organic frameworks (MOFs) have emerged as an exceedingly promising class of nanoporous materials due to their extraordinary behavior and endless functional variety. They are composed of... Read more
- Supervisor(s): D. Van Neck /25353 / Many-particle physicsBackground and problem In quantum mechanics, any system can be described by the time-independent Schrödinger equation. However, this eigenvalue problem is only exactly solvable for a few very specific systems like the hydrogen atom or... Read more
- Supervisor(s): V. Van Speybroeck /25250 / SpectroscopyBackground and problem Metal-organic frameworks (MOFs) are a new class of porous materials built with metal-based units connected by organic linkers. These materials have unique properties and are very promising for numerous applications.... Read more
- Supervisor(s): S. Cottenier, M. Sluydts /25422 / Solid-state physicsBackground and problem Computational materials simulations have been able to rapidly accelerate the development of new materials by predicting their properties before they are ever made. One problem however is that once we identify an... Read more
- Supervisor(s): S. Cottenier, S. Claessens /25428 / Solid-state physicsBackground and problem Magnetic materials appear in a variety of engineering applications. Soft magnetic materials are used in motors, generators, electromagnets, transformers,… Hard magnetic materials appear in loudspeakers, sensors... Read more
- Supervisor(s): V. Van Speybroeck /25471 / SpectroscopyBackground and problem Nanoporous materials that are crystalline and have pores at the nanometer scale possess a wide range of applications ranging from gas separation and sensing to chemical catalysis. Zeolites provide an excellent example... Read more
- Supervisor(s): L. Vanduyfhuys, V. Van Speybroeck /25469 / Model and software developmentBackground and problem The separation of a gas mixture stream into its isolated components is a highly relevant process for many industrial applications such as refinement of crude oil and the production of high value chemicals and plastics... Read more
- Supervisor(s): L. Vanduyfhuys, V. Van Speybroeck /25414 / Model and software developmentBackground and problem Polymers are macromolecules composed of well-defined monomeric subunits which are the main building blocks of many ubiquitous materials. Because of this chain-like nature one often refers to polymers as polymer(ic)... Read more
- Supervisor(s): V. Van Speybroeck /25566 / Chemistry & BiochemistryBackground and problem Drug development is one of the most strategic activities of pharmaceutical companies, with research and development (R&D) accounting for ca. 17% of their total capital expenditures in 2019. [1] Such high costs and... Read more
- Supervisor(s): V. Van Speybroeck, S.M.J. Rogge /25630 / Nanoporous materialsBackground and problem Natural gas and renewable natural gas form promising alternatives to conventional petroleum-based fuels for transportation because of their abundant reserves and lower carbon emissions. To efficiently store natural gas,... Read more
- Supervisor(s): V. Van Speybroeck, H. Vrielinck /25623 / SpectroscopyBackground and problem In recent years, crystalline nanoporous materials such as metal-organic frameworks (MOFs) have been widely investigated for their potential use in various applications such as gas storage, gas separation,... Read more
- Supervisor(s): V. Van Speybroeck /25657 / Nanoporous materialsBackground and problem Perovskites are a broad class of materials which have the same type of crystal structure as CaTiO3, which was discovered in the early 20th century. They were named in honour of the Russian Count, Lev A. Perovski.... Read more
- Supervisor(s): V. Van Speybroeck, S.M.J. Rogge /25306 / Model and software developmentBackground and problem The absorption of excess energy during mechanical impacts plays a crucial role in modern society, from injury prevention and safety measures in industrials settings to cushioning systems that increase user... Read more
- Supervisor(s): T. Verstraelen, B. De Spiegeleer /25449 / Model and software developmentBackground and problem Molecular dynamics (MD) simulations of biological macromolecules are used extensively in academia and commercial research centers to simulate small (nanometer-scale) fragments of living organisms. In such a simulation... Read more
- Supervisor(s): V. Van Speybroeck, S.M.J. Rogge /25355 / Nanoporous materialsBackground and problem Defects form part of every realistic solid-state material at room temperature, impacting the material’s properties. They can engender a welcome effect, such as increasing the efficiency of semiconductor devices... Read more
- Supervisor(s): V. Van Speybroeck /25260 / Model and software developmentBackground and problem While the photovoltaic industry has always been dominated by silicon technology, the production of crystalline silicon is difficult and expensive. As a result, recent research efforts are dedicated towards new... Read more
- Supervisor(s): V. Van Speybroeck, L. Vanduyfhuys /25359 / Nanoporous materialsBackground and problem As many microscopic phenomena are not directly accessible experimentally, computational modelling is often an indispensable tool to gain a more fundamental insight into these phenomena. The dynamics of complex... Read more
- Supervisor(s): V. Van Speybroeck /25567 / Nanoporous materialsBackground and problem Zeolite catalyzed alkene cracking plays a crucial role in both classical petrochemical processes, like FCC, as well as emerging alternatives for the on-purpose production processes of light olefins, fuels and... Read more
- Supervisor(s): L. Vanduyfhuys, V. Van Speybroeck /25408 / Model and software developmentBackground and problem Molecular modeling is a hybrid field of science combining chemistry and physics in which scientist try to understand and predict the behavior of molecules and materials using computer simulations that model the... Read more
- Supervisor(s): V. Van Speybroeck /25473 / Nanoporous materialsBackground and problem Reducing atmospheric CO2 emissions to mitigate the impact of global warming is one of the major challenges for the chemical industry. Currently, the development of carbon capture and usage (CCU) technologies to... Read more
- Supervisor(s): V. Van Speybroeck /25627 / Nanoporous materialsBackground and problem Natural gas (NG), which mainly consists of methane, is known to be one of the cleanest alternatives for energy harvesting. However, its extensive use is severely hampered by its high transportation costs, mainly due... Read more
- Supervisor(s): S.M.J. Rogge, V. Van Speybroeck /25600 / Model and software developmentBackground and problem Metal-organic frameworks (MOFs) form a versatile class of nanoporous materials that are composed of organic and inorganic building blocks. Due to the wide versatility of molecular interactions present in these... Read more
- Supervisor(s): V. Van Speybroeck /25346 / Nanoporous materialsBackground and problem The massive exploitation of crude oil in the past decades has remarkably reduced the number of easily accessible oilfields around the globe. Despite the possibility to promote a transition towards greener sources of... Read more
- Supervisor(s): V. Van Speybroeck /25656 / Nanoporous materialsBackground and problem Hydrogen and fuel cells have been named as sustainable energy solutions for the 21st century, providing a way to reduce carbon dioxide emissions and transition to clean energy sources. However, the widespread... Read more
- Supervisor(s): T. Verstraelen /25438 / Model and software developmentBackground and problem Molecular dynamics is used in many scientific domains to simulate a system of interest at the atomic scale, e.g. "how does a drug molecule interact with an enzyme?" or "how is a gas adsorbed in a... Read more
- Supervisor(s): D. Van Neck /25354 / Many-particle physicsBackground and problem One of the most intriguing phenomena in quantum many-particle physics is the appearance of strong quantum correlations and complexity. In these systems it's not just the interaction between single particles... Read more
- Supervisor(s): S. Cottenier, T. Verstraelen /25420 / Solid-state physicsBackground and problem To satisfy our hunger for energy we are in dire need of new materials capable of generating, converting, storing and transferring energy at high efficiencies. Common energy applications are for instance photovoltaics... Read more
- Supervisor(s): V. Van Speybroeck /25618 / Nanoporous materialsBackground and problem Zeolites are microporous aluminosilicate materials, with a pivotal role as catalysts in the chemical industry. They are composed of vertices-connected SiO4 tetrahedra and the flexibility of the Si—O—Si... Read more
- Supervisor(s): V. Van Speybroeck /25437 / Model and software developmentBackground and problem Nanoporous framework materials are highly promising for several day-to-day applications such as energy storage, gas separation, and heterogeneous catalysis given their unique combination of appreciable structural... Read more
- Supervisor(s): T. Verstraelen /25298 / Model and software developmentBackground and problem Computational simulations have for decades become an invaluable tool to gain a fundamental understanding of the properties of materials at the atomic scale. To study materials containing a large number of atoms, one... Read more
- Supervisor(s): V. Van Speybroeck /25308 / Nanoporous materialsBackground and problem Ethene and propene are among the most important platform chemicals in industry and are typically produced via steam cracking. However, the strive to use more sustainable non-petroleum feedstocks has incentivized the... Read more
- Supervisor(s): V. Van Speybroeck, K. De Clerck /25389 / Chemistry & BiochemistryBackground and problem With over 2/3rds of all drugs in development being classified as poorly water-soluble, it can be said that the pharmaceutical oral drug delivery industry is up for a challenge. Low water-solubility results in a low... Read more
- Supervisor(s): T. Verstraelen, D. Fauconnier /25412 / Model and software developmentBackground and problem The rising demand to reduce energy consumption and increase efficiency in engineering systems requires a deep understanding of lubricant behavior to reduce friction. Understanding the interaction between engine... Read more
- Supervisor(s): V. Van Speybroeck /25379 / SpectroscopyBackground and problem Zeolites are crystalline aluminosilicates that can be used for a broad range of applications such as gas separation and capture and as highly efficient catalysts. Their structure consists of tetrahedrally coordinated... Read more
- Supervisor(s): V. Van Speybroeck, S.M.J. Rogge /25356 / Nanoporous materialsBackground and problem Next-generation nanosensing and -actuating materials should be able to efficiently and reliably transform well-defined atomic-level stimuli into a macroscopic response or change in its structure. Soft porous crystals... Read more
- Supervisor(s): V. Van Speybroeck, P. Van der Voort /25603 / SpectroscopyBackground and problem Sunlight is abundantly present and freely available as an energy source. Therefore, the design of photoactive devices that efficiently harness sunlight is a key aspect in the transition to a sustainable economy. The... Read more
- Supervisor(s): S. Cottenier, M. Sluydts /25380 / Solid-state physicsBackground and problem MYRRHA is a new generation of nuclear fission research reactor that is inherently safe (no melt-down possible), and that can be used to produce electricity, to burn long-lived nuclear waste of the previous generations... Read more
- Supervisor(s): T. Verstraelen /25300 / Model and software developmentBackground and problem Molecular crystals consist of a periodic stacking of molecules, for which the intermolecular interactions are relatively weak compared to the intramolecular ones. Still, the weak forces are strong enough, such that... Read more
- Supervisor(s): D. Fauconnier, T. Verstraelen /25411 / Model and software developmentBackground and problem The rising demand for high power-density and performance of modern powertrains e.g. in wind turbines, pushes gears towards their limits in terms of power transfer, load capacity efficiency, durability and reliability. In... Read more
- Supervisor(s): L. Vanduyfhuys /25237 / Model and software developmentBackground and problem Most molecular simulations that are currently applied, rely on the Born-Oppenheimer approximation. Herein, one first solves the electronic Schrödinger equation and constructs so-called Born-Oppenheimer surfaces (... Read more
- Supervisor(s): S. Cottenier, T. Verstraelen /25435 / Solid-state physicsBackground and problem The iron-rich region of the Fe-Si phase diagram is of interest both to the planetology community and the materials engineering community. Indeed, the planet Mercury has a solid inner core that consists predominantly... Read more
- Supervisor(s): V. Van Speybroeck, L. Vanduyfhuys /25568 / Nanoporous materialsBackground and problem The methanol to olefins (MTO) synthesis on acid zeolite catalysts received a lot of attention during the last decades as a more sustainable alternative for the production of base chemicals. The MTO mechanism is very... Read more
- Supervisor(s): V. Van Speybroeck /25264 / Model and software developmentBackground and problem Metal-organic frameworks (MOFs) are composed of inorganic nodes and organic ligands, joined together with coordination bonds to form two- and three-dimensional networks. Computational models of MOFs are almost always... Read more
- Supervisor(s): V. Van Speybroeck /25663 / Model and software developmentBackground ad problem Metal-organic frameworks (MOFs) emerged in the last decades as a very intriguing and versatile class of materials, showing anomalous responses to certain triggers. A few examples of such atypical behavior are negative... Read more
- Supervisor(s): T. Verstraelen, J. Vekeman /25451 / Model and software developmentBackground and problem Molecular dynamics (MD) simulations of complex chemical systems rely on the computation of Newton’s equations of motion to propagate the system through time. Afterwards, relevant properties of the system can be... Read more
- Supervisor(s): V. Van Speybroeck, S.M.J. Rogge /25666 / Nanoporous materialsBackground and problem Nanoporous materials have recently attracted a lot of attention due to their wide range of possible applications, such as gas adsorption and separation, catalysis, and photoelectronic applications. Among these... Read more