Interships, BSc, and MSc projects

This page contains a list of all (previous) student projects of the QuATOMs group. For PhD projects and students, please check out the group page.

QuATOMs (2022-…)

Master Projects

1. Topic: “Structural rigidity of 2D perovskites using molecular dynamics”

   Class: 2^nd Ma Materiomics, 2025-2026
   Student: Bram Makowski

2. Topic: “Explorative dive into machine learned modeling of interactimc potentials and molecular dynamics of H-vacancy defects in diamond”

   Class: 2^nd Ma Materiomics, 2024-2025
   Student: Eleonora H.J.J. Thomas

3. Topic: “Machine Learning Small Datasets for Cu Nanoparticles:
   enhancing Experimental and Computational lab-scale data”

   Class: 2^nd Ma Materiomics, 2024-2025
   Student: Brent Motmans

4. Topic: “Germanium-vacancies and where to find them: the effects of strain on the electronic structure”

   Class: 2^nd Ma Materiomics, 2023-2024
   Student: Esin Aylin Melan

Bachelor Projects

1. Topic: “Calculating vibrational spectra for the GeV defect in diamond, and linker molecules in hybrid perovskites.”

   Class: 3^rd Ba Chemistry, 2025-2026
   Student: Brent Janssens

2. Topic: “Shannon Radii version 2.0: Big-data & Artificial Intelligence approach.”

   Class: 3^rd Ba Chemistry, 2025-2026
   Student: Milan Aerts

3. Topic: “The H atoms from a different perspective: H diffusion in and through diamond.”

   Class: switching program materiomics, 2025-2026
   Student: Deborah Gagliardi

4. Topic: “Sustainable Machine Learning for Chemistry using Small Data: Predicting quantum chemical properties at the lowest possible cost.”

   Class: switching program materiomics, 2025-2026
   Student: Saba Heidarian

5. Topic: “2D materials and their optical properties: a computational study of the electronic structure”

   Class: 3^rd Ba Chemistry, 2024-2025
   Student: Yarra Coquet

6. Topic: “Investigation of the vibrational spectrum of the SiV defect in diamond”

   Class: 3^rd Ba Chemistry, 2024-2025
   Student: Martijn Daenen

7. Topic: “Introducing Computational Quantum Chemistry: Development
   of an exercise seminar for students Ba Chemistry”

   Class: 3^rd Ba Chemistry, 2024-2025
   Student: Dries Van Roy

8. Topic: “High Throughput Computational Quantum Chemistry for Lignin Research”

   Class: 3^rd Ba Physics, 2023-2024
   Student: Xander Eyckmans

9. Topic: “Machine Learning small data: using ensembles in a race to the bottom”

   Class: 3^rd Ba Physics, 2023-2024
   Student: Bram Makowski

10. Topic: “Shannon Radii 2.0”

    Class: 3^rd Ba Physics, 2022-2023
    Student: Robbe Van Haverbeke

11. Topic: “Ab initio modelling of intensities for vibrational spectroscopy”

    Class: 3^rd Ba Physics, 2022-2023
    Student: Tijl Kelchtermans

Internships Projects

1. Topic: “Sustainable Machine Learning for Chemistry using Small Data: Predicting quantum chemical properties at the lowest possible cost “

   Class: International Internship (Universidade de São Paulo, Escola Politécnica,Engenharia Química), 2025
   Student: Pedro Perrout Martins Soares

2. Topic: “Electronic mobility in FaPbI₃“

   Class: Summer Internship (1^st Ma Materiomics), 2025
   Student: Bram Makowski

UHasselt, pre-QuATOMs (2017-2022)

1. Topic: “Wandering around on the potential energy surface:
   barriers and reactions in the CVD–plasma for diamond growth”

   Class: 3^rd Ba Physics, 2021-2022
   Student: Seppe Vanoppen

2. Topic: “Predicting Bi2WO6 particle sizes by means of Machine Learning”

   Class: Summer internship (Ba Chemistry), 2022
   Student: Brent Motmans

3. Topic: “Are there atoms in molecules?”

   Class: 3^rd Ba Physics, 2018-2019
   Student: Siebe Frederix

4. Topic: “Benchmarking DFT for their use in carbon based paeriodic materials”

   Class: 3^rd Ba Physics, 2017-2018
   Student: Mathias Smits

5. Topic: “Germanium-Vacancy complexes in Diamond”

   Class: 3^rd Ba Physics, 2016-2017
   Student: Giel Oosterbos

6. Topic: “Applied Phonons: Vibrational properties of metal-organic frameworks”

   Class: 3^rd Ba Physics, 2016-2017
   Student: Asja Vanwetswinkel

UGent (2009-2016)

1. Topic: “Combined theoretical-experimental study of chromium doped zinc gallate phosphor“

   Class: 2^nd Ma Engineering Physics, 2014-2015
   Student: Arthur De Vos

2. Topic: “Undecided electrons in ab initio calculations“

   Class: 3^rd Ba Chemistry, 2011-2012
   Students: Jelle Vekeman and Laetitia Vlaminck