Webinar on Quantum Mechanics / DFT Simulations - ASAP v2023.0 - New Features & Capabilities
19th April 2023, 3.00pm IST
Agenda
1. General representation and capabilities of ASAP: Structure Builder, Project assignment, Flexible workspaces, Remote calculations control, Advanced analysis of electronic and chemical properties. (20mins)
2. Case study: construction of complex model, choice of projects, analysis and visualisation. (20 mins)
3. ASAP: Electron nano-transport with NEGF formalism: Quantum Device builder, Automated workflow for nano-Transport calculations, Analysis of transmission function, IV characteristics. (20 mins)
4. Case study: construction of a device model, parameters setting (scattering region, electrodes, buffer region, integration contour, voltage), calculation and analysis. (20 mins)
