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Electron band structure in germanium, my ass (2001)

(pages.cs.wisc.edu)
903 points tux3 | 1 comments | 01 Apr 25 12:25 UTC | HN request time: 0.21s | source
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HiPHInch ◴[01 Apr 25 13:29 UTC] No.43546573[source]▶
I took some effort to change my research interest from computer vision to DFT calculation in quantum chemistry.

Honestly, I'm kind of frustrated now, too many work is close-source in this area. The research paper will tell you everything except how to reproduce this work in minimal effort, it's like they are hiding something.

They also using a `Origin` to plot and MS Word to write paper, which is also non-free licensed, and made them harder to collaborate and reproduce.

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1. wholinator2 ◴[01 Apr 25 17:02 UTC] No.43549084[source]▶
Very true that they're hiding things. I actually wrote some code (that strung together other people's code) to complete a simulation pipeline for non adiabatic molecular dynamics. I was tasked with writing documentation to teach the group but was instructed to not release it anywhere publicly because other groups would simply take the method and move faster since they had more money and compute.