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Webinar on the new QuantumATK Q-2019.12 Release (No replies)

QuantumATK
3 months ago
QuantumATK 3 months ago

Webinar: New QuantumATK Q-2019.12 Release: Highlights of New Features and Functionalities

Join us for a webinar highlighting the new features, functionalities, and improvements in the QuantumATK Q-2019.12 software package for atomic-scale modeling of materials, nanostructures, and nanoelectronics devices!  The QuantumATK Q-2019.12 version was released on Dec 9, 2019. 

Register for the webinar here.

During this webinar, discover, among other new features:

Density Functional Theory (DFT) and Analysis Objects Updates

  • Updated plane-wave calculator with PAW+HSE and significantly improved performance
  • Extremely efficient HSE band structure calculations using a k·p expansion method
  • Wide range of new optical and electrooptical analysis tools, including Raman spectrum, intraband contribution, polar LO/TO splitting, second order susceptibility, and infrared spectroscopy
  • Gilbert damping simulations describing spin dynamics of magnetic systems

Dynamics Updates

  • Added possibility to record “measurements” at high frequency during molecular dynamics (MD), and other improvements to plotting MD trajectories
  • Greatly improved parallel scaling of force-field potentials to speed up large-scale MD simulations
  • Advanced tools for building and equilibrating polymer melts, calculating thermo-mechanical and other properties for polymer engineering

NanoLab GUI Updates

  • Upgraded move tool in the Builder
  • Enhanced 2D plotting framework
  • Improved Job Manager layout and possibility to submit multiple jobs using specific job settings
  • New Report generator tool for easily extracting, analyzing, and plotting data obtained from a large number of simulations

You are welcome to ask questions throughout the webinar or at the end during the Q&A session.

Register for the webinar here.




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