L. Vanduyfhuys
Screening potentially interesting covalent organic frameworks by accurate force field simulations
Predicting the isotherms of adsorption through a combination of molecular simulations and thermodynamic models
Obtaining the thermal conductivity of metal-organic frameworks via force-field molecular dynamics simulations
Exploring the feasibility of MOF/polymer hybrid materials via the development of coarse-grained models
Deriving force fields to describe gas adsorption in nanoporous materials with minimal effort
Combining experimental and computational research to investigate the properties of Metal-Organic Frameworks
Application of flexible metal-organic frameworks as nanosized shock absorbers
A practical tool for the interpretation of vibrational spectra of molecules and solids
Extracting complete non-covalent force fields from ab initio computed electron densities
ISBN/ISSN:
Poster
Conference / event / venue
Euromat2015
Warschau, Poland
Monday, 21 September, 2015 to Wednesday, 23 September, 2015