Useful Things


  • FHI-aims Tutorial Series 2021: Properties of Materials from First Principles – A Virtual Hands-on Tutorial Using FHI-aims

    Upcoming Tutorial: Nov 24-25, 2021
    Ab initio thermodynamics and replica-exchange grand-canonical method for clusters/surfaces
    Speakers: Karsten Reuter, Yuanyuan Zhou



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Online lectures and tutorials


Helpful tools for your simulations


GIMS: Graphical interface for materials simulations

i-PI: A universal force engine interface written in Python


FHI-vibes: A python package for the vibrational properties of solids from first principles


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