ir. Tom Braeckevelt

Journal Article
A1
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A novel NPT thermodynamic integration scheme to derive rigorous Gibbs free energies for crystalline solids

Karel De Witte (UGent) , Tom Braeckevelt (UGent) , Massimo Bocus (UGent) , Sander Vandenhaute (UGent) and Veronique Van Speybroeck (UGent)

(2026) JOURNAL OF CHEMICAL THEORY AND COMPUTATION. 22(12). p.5979-5990

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PhD Thesis

Unraveling the microscopic origins of phase stability in metal halide perovskites through advanced molecular modeling

Tom Braeckevelt (UGent)

(2026)

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Generating a stable higher-symmetry CsPbI3 perovskite phase in ambient conditions : unveiling the stabilization mechanism

Rafikul Ali Saha, Athina Papadopoulou, Rocio Ariza, Giedrius Degutis, Irina Skvortsova, Tom Braeckevelt (UGent) , Francesco De Angelis, Eduardo Solano, Joao Pedro de Sousa Gouveia dos Anjos, Maria Isabel Pintor Monroy, et al.

(2025) ACS NANO. 19(31). p.28540-28553

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Quantitative description of strongly correlated materials by combining downfolding techniques and tensor networks

Daan Vrancken (UGent) , Simon Ganne (UGent) , Daan Verraes (UGent) , Tom Braeckevelt (UGent) , Lukas Devos (UGent) , Laurens Vanderstraeten (UGent) , Jutho Haegeman (UGent) and Veronique Van Speybroeck (UGent)

(2025) JOURNAL OF CHEMICAL THEORY AND COMPUTATION. 21(16). p.7830-7844

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Increasing the phase stability of CsPbI3 nanocrystals by Zn2+ and Cd2+ addition : synergy of transmission electron microscopy and molecular dynamics

Irina Skvortsova, Tom Braeckevelt (UGent) , Annick De Backer, Nadine Schrenker, Bapi Pradhan, Johan Hofkens, Sandra Van Aert, Veronique Van Speybroeck (UGent) and Sara Bals

(2025) ACS NANO. 19(18). p.17698-17708

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Investigation of the octahedral network structure in formamidinium lead bromide nanocrystals by low-dose scanning transmission electron microscopy

Nadine J. Schrenker, Tom Braeckevelt (UGent) , Annick De Backer, Nikolaos Livakas, Chu-Ping Yu, Thomas Friedrich, Maarten B. J. Roeffaers, Johan Hofkens, Johan Verbeeck, Liberato Manna, et al.

(2024) NANO LETTERS. 24(35). p.10936-10942

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Additivity of atomic strain fields as a tool to strain-engineering phase-stabilized CsPbI3 perovskites

Jos Teunissen (UGent) , Tom Braeckevelt (UGent) , Irina Skvortsova, Jinhui Guo, Bapi Pradhan, Elke Debroye, Maarten B. J. Roeffaers, Johan Hofkens, Sandra Van Aert, Sara Bals, et al.

(2023) JOURNAL OF PHYSICAL CHEMISTRY C. 127(48). p.23400-23411

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Understanding the phase transition mechanism in the lead halide perovskite CsPbBr3 via theoretical and experimental GIWAXS and Raman spectroscopy

Alexander Hoffman, Rafikul Ali Saha, Sander Borgmans (UGent) , Pascal Puech, Tom Braeckevelt (UGent) , Maarten B. J. Roeffaers, Julian A. A. Steele, Johan Hofkens and Veronique Van Speybroeck (UGent)

(2023) APL MATERIALS. 11(4).

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

Tom Braeckevelt (UGent) , Ruben Goeminne (UGent) , Sander Vandenhaute (UGent) , Sander Borgmans (UGent) , Toon Verstraelen (UGent) , Julian A. Steele, Maarten B. J. Roeffaers, Johan Hofkens, Sven Rogge (UGent) and Veronique Van Speybroeck (UGent)

(2022) Density Functional Theory and its Applications, 19th International Conference, Abstracts.

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An embedded interfacial network stabilizes inorganic CsPbI3 perovskite thin films

Julian A. Steele, Tom Braeckevelt (UGent) , Vittal Prakasam, Giedrius Degutis, Haifeng Yuan, Handong Jin, Eduardo Solano, Pascal Puech, Shreya Basak, Maria Isabel Pintor-Monroy, et al.

(2022) NATURE COMMUNICATIONS. 13(1).

Academic Bibliography

ir. Tom Braeckevelt

A novel NPT thermodynamic integration scheme to derive rigorous Gibbs free energies for crystalline solids

Unraveling the microscopic origins of phase stability in metal halide perovskites through advanced molecular modeling

Generating a stable higher-symmetry CsPbI3 perovskite phase in ambient conditions : unveiling the stabilization mechanism

Quantitative description of strongly correlated materials by combining downfolding techniques and tensor networks

Increasing the phase stability of CsPbI3 nanocrystals by Zn2+ and Cd2+ addition : synergy of transmission electron microscopy and molecular dynamics

Investigation of the octahedral network structure in formamidinium lead bromide nanocrystals by low-dose scanning transmission electron microscopy

Additivity of atomic strain fields as a tool to strain-engineering phase-stabilized CsPbI3 perovskites

Understanding the phase transition mechanism in the lead halide perovskite CsPbBr3 via theoretical and experimental GIWAXS and Raman spectroscopy

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

An embedded interfacial network stabilizes inorganic CsPbI3 perovskite thin films

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