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Matter Modeling
Rashid Rafeek's user avatar
Rashid Rafeek's user avatar
Rashid Rafeek's user avatar
Rashid Rafeek
  • Member for 4 years, 4 months
  • Last seen more than a week ago
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About

I am working in the field of computational materials science, basically using DFT to solve problems of practical interest. Also, programming is a passion and use mostly julia in my work.

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question
22
Examples for results obtained from modeling materials having had a direct impact in discovery of new materials
Apr 29, 2020
question
18
Computing phonon dispersion from molecular dynamics simulations?
May 3, 2020
answer
17
What are good resources to learn to code for matter modeling?
Nov 6, 2020
question
14
Why are maximally localized Wannier functions supposed to be real?
Mar 3, 2023
answer
10
How to analyze the space group of a relaxed structure that has fractional site occupancies
Jun 12, 2020
question
8
Is it possible to use the Parrinello-Rahman barostat for NPT simulations in CP2K?
May 26, 2020
answer
6
ASE: why do I get warnings about "monoclinic" and "orthorhombic" not being interpreted?
Mar 9, 2021
answer
5
VMD polymer draws multiple bonds
Dec 6, 2021
answer
3
How to discard molecules at the boundary in the Atomic Simulation Environment (ASE)?
Apr 24, 2021
answer
3
How to edit the first line of XYZ file?
Sep 9, 2021
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Color syntax highlighting for code?
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16
numpy.unique gives wrong output for list of sets
9
Plot 3d Vectors
7
Check what conda environment is currently activated