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Webinar: How to Perform Accurate and Reliable DF ... (No replies)

6 months ago
QuantumATK 6 months ago

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

Register here.

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)

  • 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.

Learn more about QuantumATK:  

Register here.

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Ab initio (from electronic structure) calculation of complex processes in materials