Novel Materials Discovery in Silico

This lecture by the instructor focuses on the computational exploration of novel materials, particularly the quantum spin Hall insulator phase in transition metal dichalcogenides. The presentation delves into high-throughput search protocols, first-principles calculations using DFT and MBPT, and the theoretical predictions and experimental confirmations of topological phases in materials like B-Bi4l4 and Weyl semimetals. The lecture also covers the challenges in band gap calculations and the implications of the discovered materials on the field of condensed matter physics.