K. Lejaeghere
Stacking silver differently for improved surface properties
Combined theoretical-experimental study of luminescent materials
A molecular dynamics approach to electron-phonon coupling in photovoltaic perovskites
Mechanical (in)stability at increased temperature: why do nanopores breathe?
Modelling physisorption and swelling by alcohols in layered nanoporous frameworks
From a dense to a sponge-like structure at high pressures: unravelling the counter-intuitive behaviour of zinc cyanide
The Delta-Project - Toward a Precision Benchmark Set for Solid State DFT
ISBN/ISSN:
Poster
Conference / event / venue
QCB13
Brussels, Belgium
Tuesday, 30 January, 2018
The Delta-Project - Toward a Precision Benchmark Set for Solid State DFT
ISBN/ISSN:
Talk
Conference / event / venue
AHPC18
Linz, Austria
Monday, 19 February, 2018 to Wednesday, 21 February, 2018
Modelling phase transitions in temperature-responsive flexible metal-organic frameworks: the delicate balance between dispersion and entropy
ISBN/ISSN:
Talk
Conference / event / venue
From Electrons to Phase Transitions
Vienna, Austria
Wednesday, 4 April, 2018 to Friday, 6 April, 2018
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