2018 CAP Congress / Congrès de l'ACP 2018

Session

R1-1 Theoretical Modeling of Materials 1 (DCMMP) | La modélisation théorique de matériaux 1 (DPMCM)

R1-1

14 Jun 2018, 08:00

Dalhousie University

Conveners

R1-1 Theoretical Modeling of Materials 1 (DCMMP) | La modélisation théorique de matériaux 1 (DPMCM)

• William Witczak-Krempa (Universite de Montreal)

2009. Electronic States of the Moiré superlattice (I)

Prof. Hong Guo (McGill University)

14/06/2018, 08:00

Condensed Matter and Materials Physics / Physique de la matière condensée et matériaux (DCMMP-DPMCM)

Invited Speaker / Conférencier(ère) invité(e)

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...

2011. Application of the exchange-hole dipole moment dispersion model to surfaces and 2D materials (I)

Prof. Erin Johnson (Department of Chemistry, Dalhousie University)

14/06/2018, 08:30

Condensed Matter and Materials Physics / Physique de la matière condensée et matériaux (DCMMP-DPMCM)

Invited Speaker / Conférencier(ère) invité(e)

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...