Add AiiDA student project #35
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mfherbst
reviewed
Dec 19, 2024
mfherbst
reviewed
Dec 19, 2024
student_projects/index.md
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| which simplifies and automates workflows for high-throughput studies. | ||
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| In our group, we develop a new player in the field: | ||
| the density-functional toolkit (DFTK). |
student_projects/index.md
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| We will start by running with the datasets from [^VerificationStudy2023]. | ||
| Along the way, we will encounter many systems where convergence fails. | ||
| We will implement automated error detection, handling, and restarting for the most common error cases. | ||
| We will then extend the verification to larger and more complex systems. |
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to more complex systems, which are known to difficult to converge even with established codes.
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