Development of accurate force fields for a Pareto screening of high-performance metal-organic frameworks J. Wieme Master of Science in Engineering Physics2015Supervisors Prof. Dr. ir. Veronique Van Speybroeck, Prof. Dr. Stefaan Cottenier Read more about Development of accurate force fields for a Pareto screening of high-performance metal-organic frameworks
Derivation of coarse-grained models for large-scale simulations of flexible materials Read more about Derivation of coarse-grained models for large-scale simulations of flexible materials
Entropy of the solid state: study of porous materials with phonon and molecular dynamics calculations Read more about Entropy of the solid state: study of porous materials with phonon and molecular dynamics calculations
Computational CO2 capture from first principles Read more about Computational CO2 capture from first principles
Ab initio parameterization of van der Waals interactions Read more about Ab initio parameterization of van der Waals interactions
High-throughput Pareto-zoektocht naar hoogperformante metaal-organische roosters Read more about High-throughput Pareto-zoektocht naar hoogperformante metaal-organische roosters
Elastische anisotropie als predictor voor het ademen van metaal-organische roosters Read more about Elastische anisotropie als predictor voor het ademen van metaal-organische roosters
Modelering van luminescente materialen via moleculaire dynamica van geexciteerde toestanden Read more about Modelering van luminescente materialen via moleculaire dynamica van geexciteerde toestanden
Modeling the stability of zeolitic imidazolate frameworks (ZIFs) with the ACKS2 model Read more about Modeling the stability of zeolitic imidazolate frameworks (ZIFs) with the ACKS2 model