Targeting Real Chemical accuracy at the EXascale
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QMC Hands-on Summer Workshop: Recordings and Presentations

Thank you for joining the QMC Hands-on Summer Workshop held from 20 to 23 July 2022, which was organised by the TREX project, Slovak Academy of Sciences (SAS), Institute of Physics SAS (IPSAS), and National Competence Centre for High Performance Computing (NCC for HPC).

 

Download the presentations

  • Basic VMC and DMC
  • Multi-determinant wave functions
  • TurboRVB and Turbo-Genius: Overview and Workflow

Hands-on

  • Introduction to Quantum Package
  • Introduction to CHAMP
  • Job script examples
  • Ground state QMC calculations
  • Excited state calculations

Video recording is available. Watch it here!

Successful Workshop on Quantum Monte Carlo with LUMI and TREX CoE
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01 Mar 23

Successful Workshop on Quantum Monte Carlo with LUMI and TREX CoE: Paving the Way for Future Collaborative Efforts

The TREX Center of Excellence (CoE) and EuroCC National Competence Center Sweden (ENCCS) successfully co-organised a workshop titled "Targeting Chemical…
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  • Demonstrators
    • Energy
    • Graphene
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The TREX: Targeting Real Chemical Accuracy at the Exascale project has received funding from the European Union’s Horizon 2020 - Research and Innovation program - under grant agreement no. 952165. The content of this document does not represent the opinion of the European Union, and the European Union is not responsible for any use that might be made of such content.

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