Efficient materials modelling on HPC with Quantum ESPRESSO, Yambo and BigDFT Logo

Day 1 - MAX-CoE and Quantum ESPRESSO

  • Lectures
  • Tutorial: Quantum ESPRESSO on HPC systems

Day 2 - Quantum ESPRESSO and AiiDA

  • Lectures
  • Tutorial: Phonons, EELS and magnons for HPC and GPUs

Day 3 - Yambo

  • Lectures
  • Yambo tutorial: Quasiparticles in the GW approximation

Day 4 - BigDFT

  • Lectures
  • Introductory PyBigDFT tour - Basic functionalities and first calculations
  • Remote manager tutorial
  • Calculations with cubic-scaling BigDFT code
  • Calculations with linear-scaling BigDFT code

Reference

  • Quick Reference
  • Instructor’s guide
Efficient materials modelling on HPC with Quantum ESPRESSO, Yambo and BigDFT
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