CMM Research Evening

We hope to welcome you on our CMM Research Evening on Tuesday March 29 at 17h in Zwijnaarde!

To guide your choice for the thesis subjects for 2022-2023, the research focus points of each promotor have been summarized. You can find the research statements by clicking on their name.

Veronique Van Speybroeck - Dimitri Van NeckAhmad Reza Mehdipour - Louis Vanduyfhuys - Toon VerstraelenStefaan Cottenier - Sven Rogge

Thesis subjects 2022-2023

Below are the thesis subjects for 2022-2023. 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.

  1. 28305 / Model and software development
    Supervisor(s): T. Verstraelen, A. R. Mehdipour / Counsellor(s): J. Vekeman
    Background and problem Molecular Dynamics (MD) simulations integrate Newton’s equations of motion of atomistic models. Forces acting on the nuclei are computed at each time step to propagate the molecular structure through time. While the... Read more
  2. 28304 / Model and software development
    Supervisor(s): T. Verstraelen / Counsellor(s): J. Vekeman, L. Dumortier
    Background and problem Molecular dynamics simulations predict properties of condensed phases using only microscopic interactions as input. In an MD simulation, forces acting on the nuclei are used to solve Newton’s equation of motion, resulting... Read more
  3. 28114 / Model and software development
    Supervisor(s): V. Van Speybroeck / Counsellor(s): S.M.J. Rogge, S. Borgmans
    Background and problem 2D materials often boast exceptional properties that are only seldomly found in more common 3D materials. Examples are the high thermal and electrical conductivity of graphene and graphite. In addition, 2D materials can... Read more
  4. 27633 / Chemistry & Biochemistry
    Supervisor(s): A. R. Mehdipour, K. De Bosscher / Counsellor(s): A. R. Mehdipour, K. De Bosscher
      Background and problem Artificial intelligence-driven modeling of protein complexes Proteins often work in pairs or groups known as complexes to accomplish the vital functions of the living cells and organisms. While some of the... Read more
  5. 28115 / Model and software development, Nanoporous materials
    Supervisor(s): V. Van Speybroeck, S.M.J. Rogge / Counsellor(s): A. Lamaire, S.M.J. Rogge
    Background and problem Water is ubiquitously used on Earth in all its three elementary phases: solid ice, liquid water, and water vapor. However, the behavior of water can be engineered even beyond these three well-known phases. For instance,... Read more
  6. 28122 / Model and software development, Nanoporous materials
    Supervisor(s): V. Van Speybroeck / Counsellor(s): S. Vandenhaute, S.M.J. Rogge
    Background and problem Metal-organic frameworks (MOFs) are composed of inorganic and organic building blocks joined together with coordination bonds to form two- or three-dimensional extended network materials with fascinating and highly... Read more
  7. 28213 / Solid-state physics
    Supervisor(s): S. Cottenier, S.Claessens (OCAS) / Counsellor(s): S. Cottenier
    Background 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, memory,…... Read more
  8. 28135 / Nanoporous materials, Spectroscopy
    Supervisor(s): V. Van Speybroeck / Counsellor(s): A. Hoffman, A. Lamaire
    Background 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, as... Read more
  9. 28197 / Model and software development
    Supervisor(s): L. Vanduyfhuys, V. Van Speybroeck / Counsellor(s): E. Van den Broeck
    Background and problem Polymers (or polymeric chains) are chain-like macromolecules composed of a well-defined monomeric subunits and are the main building blocks of many ubiquitous materials, which can be both natural (e.g. cellulose, latex) or... Read more
  10. 28118 / Model and software development, Nanoporous materials
    Supervisor(s): V. Van Speybroeck / Counsellor(s): S.M.J. Rogge, S. Borgmans
    Background and problem Metal-organic frameworks (MOFs) are akin to high-tech K’nex structures. They are composed of well-defined building blocks of a few tens of atoms each and, depending on how these building blocks are combined, can exhibit... Read more
  11. 28301 / Spectroscopy
    Supervisor(s): V. Van Speybroeck, H. Vrielinck / Counsellor(s): A. Hoffman, S. Khelifi, J. Sun
    Background 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, catalysis of... Read more
  12. 28144 / Nanoporous materials
    Supervisor(s): V. Van Speybroeck / Counsellor(s): T. Braeckevelt, J. Teunissen
    Background 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
  13. 28139 / Nanoporous materials
    Supervisor(s): V. Van Speybroeck, P. Cnudde / Counsellor(s): P. Cnudde, M. Bocus
    Background 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 directly... Read more
  14. 28207 / Model and software development, Nanoporous materials
    Supervisor(s): V. Van Speybroeck / Counsellor(s): S. Vandenhaute, A. Lamaire, P. Dobbelaere
    Background and problem Metal-organic frameworks (MOFs) are widely investigated because of their ability to capture and release water. In 2021, a research group from the University of Berkeley has patented a device to harvest atmospheric water in... Read more
  15. 28136 / Nanoporous materials
    Supervisor(s): V. Van Speybroeck / Counsellor(s): M. Bocus, P. Cnudde, S. Vandenhaute
    Background and problem Catalytic alkene cracking on zeolites plays an important role to shift and improve the product distribution toward a higher yield of light olefin or fuels in both classical petrochemical processes as well as emerging... Read more
  16. 28198 / Model and software development
    Supervisor(s): L. Vanduyfhuys, V. Van Speybroeck / Counsellor(s): L. Vanduyfhuys, M. Bocus
    Background 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 by modeling interactions between particles at the... Read more
  17. 28126 / Nanoporous materials, Spectroscopy
    Supervisor(s): V. Van Speybroeck / Counsellor(s): S. Vanlommel, S.M.J. Rogge
    Background and problem Thanks to their high porosity, zeolites are widely used materials, from catalysts in the chemical industry to smell absorbers in litter boxes. Zeolitic imidazolate frameworks (ZIFs) can be regarded as their modern sister... Read more
  18. 28303 / Model and software development
    Supervisor(s): L. Vanduyfhuys, V. Van Speybroeck / Counsellor(s): M. Bocus
    Background and problem Ab initio molecular simulations rely, in general, on the Born-Oppenheimer approximation. Herein, the electronic Schrödinger equation is solved for a certain configuration of the nuclei, to obtain a so-called potential... Read more
  19. 28141 / Nanoporous materials
    Supervisor(s): V. Van Speybroeck / Counsellor(s): A. Lamaire, S.M.J. Rogge
    Background and problem One of the remaining crucial challenges to enable a green economy is to transport the molecules that carry the energy – methane or hydrogen gas – in an efficient yet safe way. Especially for the hydrogen economy, it is... Read more
  20. 28143 / Nanoporous materials
    Supervisor(s): V. Van Speybroeck / Counsellor(s): A. Lamaire, S.M.J. Rogge
    Background and problem To reduce our dependency on fossil fuels and the resulting carbon dioxide emissions, the use of hydrogen as an energy vector could further catalyze the transition towards more sustainable energy sources. In particular the... Read more
  21. 28211 / Many-particle physics, Nanoporous materials
    Supervisor(s): V. Van Speybroeck, F. Verstraete / Counsellor(s): A. Hoffman, L. Vanderstraeten, T. Braeckevelt
    Background and problem In principle, the Schrödinger equation allows us to fully predict a system’s multidimensional wavefunction and behavior. However, solving this equation exactly is not trivial and even impossible for realistic materials... Read more
  22. 28344 / Solid-state physics
    Supervisor(s): S. Cottenier, L. Duprez / Counsellor(s): S. Cottenier
    Background and problem For climate and other environmental reasons, the world must embrace an energy transition. Electrification is the way to go, with the electricity produced from green sources such as solar and wind. An economical way to bring... Read more
  23. 25221 / Many-particle physics
    Supervisor(s): D. Van Neck / Counsellor(s): D. Van Neck
    Background 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, but the... Read more
  24. 28347 / Solid-state physics
    Supervisor(s): S. Cottenier, M. Sluydts (ePotentia) / Counsellor(s): N.N.
    Background 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 and... Read more
  25. 28205 / Many-particle physics, Nanoporous materials
    Supervisor(s): V. Van Speybroeck, F. Verstraete / Counsellor(s): T. Braeckevelt, L. Vanderstraeten, S.M.J. Rogge
    Background and problem The Hartree-Fock (HF) procedure is a fully quantum mechanical method that finds the wavefunction of a system by solving the Schrödinger equation in a self-consistent manner. However, while HF exactly accounts for electron... Read more
  26. 28217 / Nanoporous materials
    Supervisor(s): V. Van Speybroeck, L. Vanduyfhuys / Counsellor(s): D. Devoogdt, B. Schmidt
    Background and problem Nanoporous materials have proven promising for applications such as gas storage and separation, nanoshock adsorbers and chemical catalysis. An example are so-called metal-organic frameworks (MOFs) which are hybrid... Read more
  27. 28130 / Nanoporous materials
    Supervisor(s): V. Van Speybroeck / Counsellor(s): P. Cnudde, J. Mancuso
    Background and problem Acid-zeolite catalysts, already ubiquitous in industry, hold promise for future technologies that shift the foundation of the chemical industry from fossil-based feedstocks to renewable sources [1]. Thanks to its... Read more
  28. 28339 / Solid-state physics
    Supervisor(s): S. Cottenier, L. Duprez (OCAS NV) / Counsellor(s): S. Cottenier, M. Sluydts
    Background and problem According to Wikipedia, “Electrical steel is an iron alloy tailored to produce specific magnetic properties: small hysteresis area resulting in low power loss per cycle, low core loss, and high permeability.” It is used in... Read more
  29. 28128 / Nanoporous materials
    Supervisor(s): V. Van Speybroeck / Counsellor(s): M. Bocus, P. Cnudde
    Background 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 move... Read more
  30. 28214 / Model and software development
    Supervisor(s): L. Vanduyfhuys, V. Van Speybroeck / Counsellor(s): V. De Ridder, S. Ravichandran
    Background and problem Nanoporous materials have attracted much attention in the past decades due to their impressive potential for applications in the field of natural gas storage, detection and separation of gases, or even as effective drug... Read more
  31. 28302 / Nanoporous materials, Spectroscopy
    Supervisor(s): V. Van Speybroeck / Counsellor(s): S. Vanlommel, A. Hoffman
    Background 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 SiO4/... Read more
  32. 28140 / Nanoporous materials
    Supervisor(s): V. Van Speybroeck, S.M.J. Rogge / Counsellor(s): A. Hoffman, S. Borgmans, S. Vandenhaute
    Background 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 an observable change in the material’s structure.... Read more
  33. 28148 / Nanoporous materials, Spectroscopy
    Supervisor(s): V. Van Speybroeck, P. Van der Voort / Counsellor(s): S. Borgmans, T. Braeckevelt
    Background 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
  34. 28306 / Model and software development
    Supervisor(s): T. Verstraelen, D. Fauconnier / Counsellor(s): G. Toraman
    Background and problem Molecular Dynamics (MD) simulations bridge the gap between microscopic interactions in a condensed phase and its macroscopic properties. A classic example is the Lennard-Jones fluid: using only a simple Lennard-Jones... Read more
  35. 28194 / Chemistry & Biochemistry, Model and software development
    Supervisor(s): T. Verstraelen, M. Sabbe / Counsellor(s): J. Vekeman, L. Dumortier
    Background and problem Activated carbon is commonly used to remove hazardous organic compounds, such as pesticides, from waste water streams before release into the environment. [1] Desotec, [2] industrial partner to this project, specializes in... Read more
  36. 28979 / Many-particle physics, Nanoporous materials
    Supervisor(s): F. Verstraete, V. Van Speybroeck / Counsellor(s): L. Vanderstraeten
    Background and problem The theoretical understanding and numerical simulation of strongly-correlated quantum materials has been one of the long-standing challenges in physics: Whereas the microscopic quantum-mechanical equations for describing e.... Read more
  37. 28609 / Model and software development
    Supervisor(s): D. Fauconnier, T. Verstraelen / Counsellor(s): G. Toraman
    Background and problem Friction and wear are one of the most fundamental sources of worldwide energy loss[1]. Hence, adequate lubrication is crucial to minimize friction and wear, assuring optimal energetic performance, durability, reliability,... Read more
  38. 28146 / Nanoporous materials
    Supervisor(s): S.M.J. Rogge / Counsellor(s): S. Borgmans
    Background and problem Local defects are present in 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 or... Read more
  39. 28113 / Model and software development
    Supervisor(s): V. Van Speybroeck, S.M.J. Rogge / Counsellor(s): J. Teunissen
    Background and problem Identifying materials and devices that efficiently convert light into electrical current and vice versa is one of the most important challenges for today’s society, with applications ranging from solar panels to medical... Read more
  40. 28329 / Solid-state physics
    Supervisor(s): S. Cottenier, T. Verstraelen, T. Van Hoolst (Royal Observatory Belgium) / Counsellor(s): S. Cottenier, M. Sluydts (ePotentia), A. Rivoldini
    Background 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 of iron... Read more
  41. 28977 / Many-particle physics, Nanoporous materials
    Supervisor(s): F. Verstraete, V. Van Speybroeck / Counsellor(s): L. Vanderstraeten
    Background and problem The theoretical understanding and numerical simulation of strongly-correlated quantum materials has been one of the long-standing challenges in physics: Whereas the microscopic quantum-mechanical equations for describing e.... Read more
  42. 28131 / Nanoporous materials
    Supervisor(s): V. Van Speybroeck, L. Vanduyfhuys / Counsellor(s): P. Cnudde, S. Vandenhaute
    Background and problem The methanol-to-olefins (MTO) conversion 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
  43. 28322 / Nanoporous materials
    Supervisor(s): V. Van Speybroeck / Counsellor(s): J. Mancuso, S. Vanlommel
    Background 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 SiO4/... Read more
  44. 28327 / Nanoporous materials
    Supervisor(s): V. Van Speybroeck, P. Van der Voort / Counsellor(s): K. S. Rawat, J. Mancuso
    Background and problem Solar energy is the most abundant and inexhaustible resource on our planet. Hence, harvesting sunlight for energy production and chemical transformations will be invaluable for establishing a sustainable industrial society... Read more
  45. 28187 / Chemistry & Biochemistry
    Supervisor(s): A. R. Mehdipour, L. Vanduyfhuys / Counsellor(s): A. R. Mehdipour, L. Vanduyfhuys
    Background and problem Most drugs target membrane proteins accessible on the surface of the cells. The main drug-binding sites of membrane proteins are situated in central binding sites formed within their transmembrane-spanning domains. However... Read more
  46. 28180 / Chemistry & Biochemistry
    Supervisor(s): A. R. Mehdipour, L. Vanduyfhuys / Counsellor(s): A. R. Mehdipour, L. Vanduyfhuys
    Background and problem Glycan-protein interactions represent an important class of biological interactions that occur between free or protein-attached glycans [1]. They are the basis for many prominent cell processes, including host-cell... Read more
  47. 28127 / Nanoporous materials
    Supervisor(s): V. Van Speybroeck / Counsellor(s): M. Bocus, J. Mancuso
    Background and problem The massive exploitation of crude oil in the past decades has remarkably reduced the number of accessible oilfields around the globe. While this promotes the transition towards greener sources of energy, the impending... Read more