Hexagonal-BN

Introduction

• First steps: a walk through from DFT to optical properties

Quasiparticles in the GW approximation

• How to obtain the quasi-particle band structure of a bulk material: h-BN

Using Yambo in Parallel

• Parallel GW: strategies for running Yambo in parallel
• GW convergence: use Yambo in parallel to converge a GW calculation for a layer of hBN (hBN-2D)

Excitons and the Bethe-Salpeter Equation

• Calculating optical spectra including excitonic effects: a step-by-step guide
• Obtaining a converged optical spectrum
• Many-body effects in low-dimensional systems: numerical issues and remedies
• Analysis of excitonic spectra in a 2D material

Yambo-python driver

• First steps in Yambopy
• GW tutorial. Convergence and approximations (BN)
• Bethe-Salpeter equation tutorial. Optical absorption (BN)

Real-time simulations

• Breaking of symmetries
• Independent-Particle Approximation Dynamics. Delta Pulse
• Post-processing. Optical Response