Michal Novotný, Matúš Dubecký and František Karlický published a new paper!

Toward accurate modeling of structure and energetics of bulk hexagonal boron nitride (wiley) Michal Novotný, Matúš Dubecký and František Karlický Abstract Materials that exhibit both strong covalent and weak van der Waals interactions pose a considerable challenge to many computational methods, such as DFT. This makes assessing the accuracy of calculated properties, such as exfoliation…