Useful Things
Ongoing
- 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
Registration
Flyer
Online lectures and tutorials
- FHI-aims online tutorials: This is a collection of tutorials about basic up to advanced functionalities of the FHI-aims code.
- Hands-on DFT and Beyond 2019: High-throughout screening and big-data analytics, towards exascale computational materials science
- Hands-on Workshop Density-Functional Theory and Beyond 2017: Accuracy, Efficiency, and Reproducibility in Computational Materials Science
Helpful tools for your simulations
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GIMS: Graphical interface for materials simulations |
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i-PI: A universal force engine interface written in Python |
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FHI-vibes: A python package for the vibrational properties of solids from first principles |
