S.M.J. Rogge
From data science to physical insight: systematically identifying the collective variables describing phase transformations in flexible materials
Constructing accurate coarse-grained force fields by variational minimization: The subtle balance between accuracy and sparseness
Master of Science in Engineering Physics
2018
A thermodynamic characterization of mechanical, thermal and adsorption properties of flexible metal-organic frameworks
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Talk
Conference / event / venue
EUROMAT 2017
Thessaloniki, Greece
Sunday, 17 September, 2017 to Friday, 22 September, 2017
A thermodynamic approach to accurately determine the flexibility and loss of crystallinity in metal-organic frameworks
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Talk
Conference / event / venue
EUROMAT 2017
Thessaloníki, Greece
Thursday, 21 September, 2017
Exploring the flexibility of MIL-47(V)-type materials using force field molecular dynamics simulations
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Talk
Conference / event / venue
EUROMAT 2017
Thessaloniki, Greece
Sunday, 17 September, 2017 to Friday, 22 September, 2017
Thermodynamic approach to accurately determine pressure profiles for metal-organic frameworks to assess their flexibility and loss of crystallinity
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Talk
Conference / event / venue
Thermodynamics 2017
Edinburgh, UK
Wednesday, 6 September, 2017
Derivation and application of a reliable procedure to computationally model the mechanical stability of rigid and flexible metal-organic frameworks
Fri, 25/05/2018
Faculty of Engineering and Architecture, Jozef Plateaustraat, Ghent
Exploring the mechanical and thermal properties of MOFs via force field molecular dynamics
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Talk
Conference / event / venue
Research stay @ COSMO-EPFL
Lausanne, Switzerland
Tuesday, 7 February, 2017
The importance of unit cell fluctuations for free energy profiles of flexible crystals
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Poster
Conference / event / venue
MolSim 2017
Amsterdam The Netherlands
Monday, 9 January, 2017 to Friday, 20 January, 2017
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