Conveners
R1-1 Theoretical Modeling of Materials 1 (DCMMP) | La modélisation théorique de matériaux 1 (DPMCM)
- William Witczak-Krempa (Universite de Montreal)
Two-dimensional (2D) van der Waals (vdW) heterostructures have attracted great attention in the past five years. By stacking different 2D materials to bond via the vdW force, these artificial heterostructures provide new material phase space for exploration. In this work we focus on one aspect of the 2D vdW material: the Moiré pattern. In visual arts, Moiré pattern is an optical perception of...
The exchange-hole dipole moment (XDM) method is a density-functional model of London dispersion based upon second-order perturbation theory. The XDM dispersion coefficients are non-empirical and depend directly on the electron density and related properties. XDM offers simultaneous high accuracy for a diverse range of systems due to the variation of the calculated atomic dispersion...