What resources are available for using DFT to study 1D materials in physics?

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SUMMARY

This discussion focuses on utilizing Density Functional Theory (DFT) for studying one-dimensional (1D) materials in physics. The original poster seeks resources such as books, articles, and videos to aid in their thesis work. A participant recommends a blog, specifically https://compphys.go.ro, which contains valuable posts on DFT, including a lecture titled "Practical DFT" that is beneficial for implementing DFT programs. Additionally, the participant mentions their own implementation of code for computing molecular properties using local pseudopotentials.

PREREQUISITES
  • Understanding of Density Functional Theory (DFT)
  • Familiarity with computational physics concepts
  • Knowledge of local pseudopotentials
  • Basic programming skills for implementing DFT codes
NEXT STEPS
  • Research the "Practical DFT" lecture available on https://compphys.go.ro
  • Explore additional resources on DFT applications in 1D materials
  • Study local pseudopotentials and their implementation in DFT calculations
  • Investigate coding techniques for simulating molecular properties using DFT
USEFUL FOR

This discussion is beneficial for graduate students in physics, particularly those focusing on computational materials science, as well as researchers looking to deepen their understanding of DFT applications in 1D materials.

Hamza Elkotfi
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hello dear physicists

I will work in my thesis on 1D materials using DFT as a numerical method to find the properietes of these 1D materials
I would be very happy if someone can help me with references (books, links, articles, vedios ...) that could help me to advance in my work

Thank you
 
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Hamza Elkotfi said:
hello dear physicists

I will work in my thesis on 1D materials using DFT as a numerical method to find the properietes of these 1D materials
I would be very happy if someone can help me with references (books, links, articles, vedios ...) that could help me to advance in my work

Thank you

Shouldn't this be something you should ask your advisor/thesis supervisor?

Zz.
 
On my blog https://compphys.go.ro I have several posts related with DFT that for now ends up with this: https://compphys.go.ro/dft-for-a-quantum-dot/
I also implemented the code for computing a molecule (and even a material) using local pseudopotentials, but I postponed posting it for a while...

Anyway, I recommend the lecture - Practical DFT - embedded in the blog post (along with the materials), it's very good for understanding DFT at a level which allows you to implement a working program.
 
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