S. Borgmans

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

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

ISBN/ISSN:

Talk

Conference / event / venue

DFT2022

Brussels, Belgium

Monday, 29 August, 2022 to Friday, 2 September, 2022

Instilling flexibility in rigid MOFs through strain field engineering: A case study on crumple zones to relieve stress in UiO-66

S.M.J. Rogge, S. Borgmans, V. Van Speybroeck

ISBN/ISSN:

Poster

Conference / event / venue

Molecular Simulation 2022: Present, Past and Future

Erice, Italy

Saturday, 25 June, 2022 to Wednesday, 29 June, 2022

Small changes with long-range impact: Developing cooperative strain fields to study the effect of local disorder in zeolitic imidazolate frameworks

Orthogonal electronic structure engineering in nanoporous materials for the design of new-generation photocatalysts for clean energy conversion.

One crystal, two phases: Designing phase coexistence in metal-organic frameworks for nanosensing and -actuating

Correlating space and time: Towards an understanding of how defects alter the spatiotemporal response of metal-organic frameworks

Are 2D COFs the new graphite: Increasing the stability of layered structures through the implementation of a constant stress ensemble

Quantifying the likelihood of structural models through a dynamically enhanced powder X-ray diffraction protocol

S. Borgmans, S.M.J. Rogge, J. De Vos, C.V. Stevens, P. Van der Voort, V. Van Speybroeck

ISBN/ISSN:

Talk

Conference / event / venue

EURMOF2021-YIS

Online

Friday, 10 September, 2021

Quantifying the likelihood of structural models through a dynamically enhanced powder X-ray diffraction protocol

S. Borgmans, S.M.J. Rogge, J. De Vos, C.V. Stevens, P. Van der Voort, V. Van Speybroeck

ISBN/ISSN:

Poster

Conference / event / venue

EUROMOF2021

Online

Monday, 13 September, 2021 to Wednesday, 15 September, 2021

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

Conference / event / venue

Instilling flexibility in rigid MOFs through strain field engineering: A case study on crumple zones to relieve stress in UiO-66

Conference / event / venue

Small changes with long-range impact: Developing cooperative strain fields to study the effect of local disorder in zeolitic imidazolate frameworks

Orthogonal electronic structure engineering in nanoporous materials for the design of new-generation photocatalysts for clean energy conversion.

One crystal, two phases: Designing phase coexistence in metal-organic frameworks for nanosensing and -actuating

Correlating space and time: Towards an understanding of how defects alter the spatiotemporal response of metal-organic frameworks

Are 2D COFs the new graphite: Increasing the stability of layered structures through the implementation of a constant stress ensemble

Quantifying the likelihood of structural models through a dynamically enhanced powder X-ray diffraction protocol

Conference / event / venue

Quantifying the likelihood of structural models through a dynamically enhanced powder X-ray diffraction protocol

Conference / event / venue

Translating chemical intuition to machine learning algorithms: identifying promising next-generation methane storage materials

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S. Borgmans

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