S.M.J. Rogge

Mechanical Behaviour of Metal-Organic Framework Materials

In the first book dedicated to this rapidly expanding research area, Mechanical Behaviour of Metal-Organic Framework Materials, provides a convenient introduction on how chemistry determines structure-mechanical property relationships and functional performance. Much of the research efforts in metal-organic framework (MOF) and hybrid framework materials focus on synthesis and adsorption related properties.

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

Computationally understanding and designing functional materials for energy applications: From nanoscale to realistic mesoscale models

S.M.J. Rogge, V. Van Speybroeck
ISBN/ISSN:
Invited talk

Conference / event / venue 

CChESMate 1st Meeting: Climate Change and Energy Solutions through Materials Science
Lille, France
Thursday, 28 April, 2022 to Friday, 29 April, 2022

Pages

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