DFT Webinar

Date: 11th of September, 2019

Time 1:

  • 9 AM CEST (Europe) / 12.30 pm IST (India) / 3 pm CST (China) / 4 pm KST (South Korea) / 4 pm JST (Japan)

Time 2:

  • 12 pm EDT (US East Coast) / 9 am PDT (US West Coast)/ 6 pm CEST (Europe)

Duration: 45 minutes (plus 15 min Q&A session)

 

Please check on the drop-down menu to choose the most convenient time for you.

Join us for a webinar to discover how to perform accurate and reliable density functional theory (DFT) simulations with the QuantumATK platform:

  • See in action how easy it is to perform DFT simulations using NanoLab GUI in QuantumATK: build structures, access databases, set up calculations, submit and run jobs, visualize and analyze results using advanced post-processing capabilities, and prepare high quality figures for your publications.
  • Learn how to perform accurate and reliable DFT simulations by optimizing geometry, considering methods for obtaining accurate band gaps, and converging electronic structure properties with respect to the number of k-points, density mesh cut-off, pseudopotentials, and basis sets.
  • Discover how you could benefit from being able to shift seamlessly from LCAO basis sets (DFT-LCAO) to plane-wave basis sets (DFT-PlaneWave) within one framework, and, thus, easily adjust and test tradeoffs between speed and accuracy.
  • Find out which systems (crystalline, amorphous materials, surfaces, interfaces, devices, etc.) and which material properties could be simulated with DFT in QuantumATK.

Presenters

Vaida Arcisauskaite, PhD

Senior Scientific Communication Specialist 

Synopsys QuantumATK Product Group

Umberto Martinez, PhD

Business Development Manager

Synopsys QuantumATK Product Group