Matter Modeling
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Andrew Rosen
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See https://asrosen.com/ for more about me.

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question
30
What are the positives and negatives of periodic DFT codes that don't use plane-wave basis sets?
May 1, 2020
question
25
What is the largest material that has been studied using density functional theory?
May 1, 2020
question
22
Enforce a space group on a given crystal structure
May 2, 2020
answer
22
Available methods and codes for materials discovery / crystal structure prediction?
May 1, 2020
answer
22
k-points and ENCUT convergence tests before or after relaxation?
Aug 2, 2020
answer
21
What are good ways to reduce computing time when working with large systems in VASP?
May 1, 2020
question
21
What are some materials discovered from first-principles calculations that ended up being incorporated in a commercial product?
May 1, 2020
answer
21
Why do we have so many DFT codes (softwares)? Are they redundant?
May 1, 2020
answer
20
Given that Kohn-Sham DFT is strictly a ground-state method (at 0 K), how is it sufficient to describe materials in real-life applications?
Jun 9, 2020
answer
19
Tools for high-throughput DFT studies?
Jul 20, 2020
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Disparity between training and testing errors with deep learning: the bias-variance tradeoff and model selection

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