Tom Braeckevelt

Publications

A1 publications

Published

2026

[A1 Publication] The effect of the A-site cation on the phase transition temperature of metal halide perovskites

Authors

Braeckevelt T.; Vandenhaute S.; Rogge S. M. J.; Hofkens J.; Van Speybroeck V.

Journal of Materials Chemistry A 2026. 14(53): 36767 - 36780. IF: 9.5 63/461 [Q1] (IF & ranking 2024)

https://doi.org/10.1039/d6ta01549b

[A1 Publication] A Novel NPT Thermodynamic Integration Scheme to Derive Rigorous Gibbs Free Energies for Crystalline Solids

Authors

De Witte K.; Braeckevelt T.; Bocus M.; Vandenhaute S.; Van Speybroeck V.

Journal of Chemical Theory and Computation 2026. 22(12): 5979 - 5990. IF: 5.5 60/185 [Q2] (IF & ranking 2024)

https://doi.org/10.1021/acs.jctc.6c00348

2025

[A1 Publication] Quantitative Description of Strongly Correlated Materials by Combining Downfolding Techniques and Tensor Networks

Authors

Vrancken D.; Ganne S.; Verraes D.; Braeckevelt T.; Devos L.; Vanderstraeten L.; Haegeman J.; Van Speybroeck V.

Journal of Chemical Theory and Computation 2025. 21(16): 7830 - 7844. IF: 5.5 60/185 [Q2] (IF & ranking 2024)

https://doi.org/10.1021/acs.jctc.5c00796

[A1 Publication] Generating a Stable Higher-Symmetry CsPbI3 Perovskite Phase in Ambient Conditions: Unveiling the Stabilization Mechanism

Authors

Saha R. A.; Papadopoulo A.; Ariza R.; Degutis G.; Skvortsova I.; Braeckevelt T.; De Angelis F.; Solano E.; de Sousa Gouveia dos Anjos J. P.; Pintor-Monroy M. I.; Mongilyov I.; God B.; Rubio-Zuazo J.; Genoe J.; Meneghini C.; Steele J. A.; Bals S.; Van Speybroeck V.; Hofkens J.

ACS Nano 2025. 19(31): 28540 - 28553. IF: 16.1 16/239 [Q1] (IF & ranking 2024)

https://pubs.acs.org/doi/10.1021/acsnano.5c07700

[A1 Publication] Increasing the Phase Stability of CsPbI3 Nanocrystals by Zn2+ and Cd2+ Addition: Synergy of Transmission Electron Microscopy and Molecular Dynamics

Authors

Skvortsova I.; Braeckevelt T.; De Backer A.; Schrenker N. J.; Pradhan B.; Hofkens J.; Van Aert S.; Van Speybroeck V.; Bals S.

ACS Nano 2025. 19(18): 17698 - 17708. IF: 16.1 16/239 [Q1] (IF & ranking 2024)

http://dx.doi.org/10.1021/acsnano.5c01825

2024

[A1 Publication] Investigation of the Octahedral Network Structure in Formamidinium Lead Bromide Nanocrystals by Low-Dose Scanning Transmission Electron Microscopy

Authors

Schrenker N. J.; Braeckevelt T.; De Backer A.; Livakas N.; Yu C.-P.; Friedrich T.; Roeffaers M. B. J.; Hofkens J.; Verbeeck J.; Manna L.; Van Speybroeck V.; Van Aert S.; Bals S.

Nano Letters 2024. 24(35): 10936 - 10942. IF: 9.1 34/239 [Q1]

https://doi.org/10.1021/acs.nanolett.4c02811

2023

[A1 Publication] Additivity of atomic strain fields as a tool to strain-engineering phase-stabilized CsPbI3 perovskites

Authors

Teunissen J.; Braeckevelt T.; Skvortsova I.; Guo J.; Pradhan B.; Debroye E.; Roeffaers M.; Hofkens J.; Van Aert S.; Bals S.; Rogge S. M. J.; Van Speybroeck V.

Journal of Physical Chemistry C 2023. 127(48): 23400 - 23411. IF: 3.3 82/178 [Q2]

http://dx.doi.org/10.1021/acs.jpcc.3c05770

[A1 Publication] Understanding the phase transition mechanism in the lead-halide perovskite CsPbBr3 via theoretical and experimental GIWAXS and Raman spectroscopy

Authors

Hoffman A. E. J.; Saha R. A.; Borgmans S.; Puech P.; Braeckevelt T.; Steele J. A.; Hofkens J.; Van Speybroeck V.

APL Materials 2023. 11(4): 041124. IF: 5.3 122/439 [Q2]

http://dx.doi.org/10.1063/5.0144344

2022

[A1 Publication] An embedded interfacial network stabilizes inorganic CsPbI3 perovskite thin films

Authors

Steele J. A.; Braeckevelt T.; Prakasam V.; Degutis G.; Yuan H.; Jin H.; Solano E.; Puech P.; Basak S.; Pintor-Monroy M. I.; Van Gorp H.; Fleury G.; Yang R. X.; Lin Z.; Huang H.; Debroye E.; Chernyshov D.; Chen B.; Wei M.; Hou Y.; Gehlhaar R.; Genoe J.; De Feyter S.; Rogge S. M. J.; Walsh A.; Sargent E. H.; Yang P.; Hofkens J.; Van Speybroeck V.; Roeffaers M. B. J.

Nature Communications 2022. 13: 7513. IF: 16.6 6/73 [Q1]

https://doi.org/10.1038/s41467-022-35255-9

[A1 Publication] Accurately Determining the Phase Transition Temperature of CsPbI3 via Random-Phase Approximation Calculations and Phase-Transferable Machine Learning Potentials

Authors

Braeckevelt T.; Goeminne R.; Vandenhaute S.; Borgmans S.; Verstraelen T.; Steele J. A.; Roeffaers M.; Hofkens J.; Rogge S. M. J.; Van Speybroeck V.

Chemistry of Materials 2022. 34(19): 8561 - 8576. IF: 8.6 63/344 [Q1]

https://doi.org/10.1021/acs.chemmater.2c01508

[A1 Publication] How the Layer Alignment in Two-dimensional Nanoporous Covalent Organic Frameworks Impacts Its Electronic Properties

Authors

Rawat K. S.; Borgmans S.; Braeckevelt T.; Stevens C. V.; Van Der Voort P.; Van Speybroeck V.

ACS Applied Nano Materials 2022. 5(10): 14377 - 14387. IF: 5.9 98/344 [Q2]

https://doi.org/10.1021/acsanm.2c02647

2021

[A1 Publication] Texture Formation in Polycrystalline Thin Films of All-Inorganic Lead Halide Perovskite

Authors

Steele J. A.; Solano E.; Jin H.; Prakasam V.; Braeckevelt T.; Yuan H.; Lin Z.; de Kloe R.; Wang Q.; Rogge S. M. J.; Van Speybroeck V.; Chernyshov D.; Hofkens J.; Roeffaers M.

Advanced Materials 2021. 33(13): 2007224. IF: 32.086 4/165 [Q1]

http://dx.doi.org/10.1002/adma.202007224

2019

[A1 Publication] Thermal unequilibrium of strained black CsPbI3 thin films

Authors

Steele J. A.; Jin H.; Dovgaliuk I.; Berger R. F.; Braeckevelt T.; Yuan H.; Martin C.; Solano E.; Lejaeghere K.; Rogge S. M. J.; Notebaert C.; Vandezande W.; Janssen K. P. F.; Goderis B.; Debroye E.; Wang Y.-K.; Dong Y.; Ma D.; Saidaminov M.; Tan H.; Lu Z.; Dyadkin V.; Chernyshov D.; Van Speybroeck V.; Sargent E. H.; Hofkens J.; Roeffaers M.

Science 2019. 365(6454): 679 - 684.

http://dx.doi.org/10.1126/science.aax3878

Other publications

Dissertations [MSc and PhD]

PhD thesis

2026

[PhD Thesis] Unraveling the Microscopic Origins of Phase Stability in Metal Halide Perovskites through Advanced Molecular Modeling

Authors

Braeckevelt T.

Supervisor(s):

prof. dr. ir. Veronique Van Speybroeck

prof. dr.

Hofkens J.

Doctor of Engineering: Physics, 06/03/2026.

Master thesis

2018

[MSc Thesis] Designing 2D hybrid organic-inorganic perovskites for game-changing photovoltaics

Authors

Braeckevelt T.

Supervisor(s):

prof. dr. ir. Veronique Van Speybroeck

dr. ir. Kurt Lejaeghere

Master of Science in Engineering Physics, 2018.

Invited talks [Honorary lectureships, keynotes, plenary talks and invited talks]

Invited talks

2025

[Invited talk] Pushing the limits of computational chemistry: the phase diagram of water

Authors

Bocus M.; Braeckevelt T.; Dobbelaere P.; Maet A.; Temmerman W.; Vandenhaute S.; Vanlommel S.; Vekeman J.; Van Speybroeck V.

EuroHPC User Days 2025, Copenhagen, DK, 30/09/2025 - 01/10/2025

[Invited talk] Phase stability in metal halide perovskites from static DFT calculations to ML enabled large scale MD simulations

Authors

Braeckevelt T.

Meeting on Psiflow ML Potentials for Perovskites, Eindhoven, NL, 27/01/2025

Talks

2022

[Talk] Accurately determining the transition temperature of metal halide perovskites via RPA calculations and phase-transferable machine learning potentials

Authors

Braeckevelt T.; Goeminne R.; Vandenhaute S.; Borgmans S.; Verstraelen T.; Steele J. A.; Roeffaers M.; Hofkens J.; Rogge S. M. J.; Van Speybroeck V.

19th International Conference on Density Functional Theory and its Applications (DFT2022), Brussels, BE, 28/08/2022 - 02/09/2022

Posters

2026

[Poster] Direct and rigorous phase stability calculations of solids: a novel NPT thermodynamic integration approach

Authors

De Witte K.; Braeckevelt T.; Bocus M.; Vandenhaute S.; Van Speybroeck V.

MOFSIM2026, Turin, IT, 31/08/2026 - 02/09/2026

[Poster] Combining Matrix Product States and Mean-Field theory to capture magnetic order in quasi-1D materials

Authors

Staelens Q.; Verraes D.; Vrancken D.; Braeckevelt T.; Haegeman J.; Van Speybroeck V.

RPMBT23 (23rd International Conference on Recent Progress in Many-Body Theories), Milan, IT, 14/09/2026 - 18/09/2026

2025

[Poster] DFT+TN: A new method to accurately model complex materials from first principles

Authors

Ganne S.; Vrancken D.; Verraes D.; Braeckevelt T.; Devos L.; Vanderstraeten L.; Haegeman J.; Van Speybroeck V.

FEARS 2025, Ghent, BE, 13/10/2025

[Poster] First-Principles Evidence for Strongly Correlated Superconductivity Driven by Structural Variations in La3Ni2O7

Authors

Verraes D.; Braeckevelt T.; Bultinck N.; Van Speybroeck V.

International Conference on Strongly Correlated Quantum Materials (ICSCQM), Hvar, HR, 12/10/2025 - 17/10/2025

[Poster] Quantitative Description of Strongly Correlated Materials by Combining Downfolding Techniques and Tensor Networks

Authors

Vrancken D.; Ganne S.; Verraes D.; Braeckevelt T.; Devos L.; Vanderstraeten L.; Haegeman J.; Van Speybroeck V.

International Conference on Strongly Correlated Quantum Materials (ICSCQM), Hvar, HR, 12/10/2025 - 17/10/2025

[Poster] Evidence for Strongly Correlated Superconductivity in La3Ni2O7 from First Principles

Authors

Verraes D.; Braeckevelt T.; Bultinck N.; Van Speybroeck V.

Role of Topology, Dimensionality and Correlations in Unconventional Superconductivity, Les Diablerets, CH, 04/05/2025 - 09/05/2025

2020

[Poster] Stabilizing the perovskite phase of cesium lead iodide thin films via interfacial strains

Authors

Braeckevelt T.; Steele J. A.; Lejaeghere K.; Rogge S. M. J.; Roeffaers M.; Hofkens J.; Van Speybroeck V.

MolSim 2020, Amsterdam, NL, 06/01/2020 - 17/01/2020

2019

[Poster] Stabilizing the perovskite phase of cesium lead iodide thin films via interfacial strains

Authors

Braeckevelt T.; Steele J. A.; Lejaeghere K.; Rogge S. M. J.; Roeffaers M. B. J.; Hofkens J.; Van Speybroeck V.

5th International Conference on Perovskite Solar Cells and Optoelectronics (PSCO19), Lausanne, CH, 30/09/2019 - 02/10/2019

[Poster] Stabilizing the perovskite phase of cesium lead iodide thin films via interfacial strains

Authors

Braeckevelt T.; Steele J. A.; Lejaeghere K.; Rogge S. M. J.; Roeffaers M. B. J.; Hofkens J.; Van Speybroeck V.

ICAMM2019, Rennes, FR, 01/07/2019 - 03/07/2019

Contact information

Technologiepark-Zwijnaarde 46
9052 Zwijnaarde
Belgium

Office n°

Tom.Braeckevelt@UGent.be

+32 (0)9 264 66 41

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Tom Braeckevelt

Publications

A1 publications

Published

2026

2025

2024

2023

2022

2021

2019

Other publications

Dissertations [MSc and PhD]

PhD thesis

2026

Master thesis

2018

Invited talks [Honorary lectureships, keynotes, plenary talks and invited talks]

Invited talks

2025

Talks

2022

Posters

2026

2025

2020

2019

Contact information

References