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Matter Modeling
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PBH
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I am a PhD candidate in Mechanical Engineering

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answer
15
Can a highly-cited published paper have this type of error?
Oct 13, 2021
answer
14
How to calculate the computational time required for a MD simulation
Oct 31, 2021
answer
13
How can I use a GUI on a supercomputer?
Oct 12, 2021
answer
12
What does ns/day mean in high-performance computing?
Oct 29, 2021
answer
11
I am considering to purchase a GPU. What calculations would need FP32, and what would need FP64?
Mar 3, 2022
answer
11
Suggestions on personal computers for matter modeling
Nov 28, 2021
answer
9
Command to run QE-GPU
Oct 16, 2021
question
9
Evaluating Seebeck coefficient using DFT
Sep 29, 2021
question
9
Geometry optimization using DFT
Oct 12, 2021
question
9
How to identify localized surface states in the band structure
Oct 28, 2021