Validation of different exchange-correlation functionals

[iamcool]

I am studying Electronics & Communication Engineering with good Computer Science (Programming) background.

 

I recently applied for an internship and got selected. Now, the Professor gave research topic which I am supposed to perform next summer.

 

The topic:

 

“Validation of different exchange-correlation functionals for materials science”. This concerns density function theory calculations using the LDA, PBE, PBE0, HSE, rPT2 functionals as well as MP2 calculation for carefully selected clusters of different sizes, periodic bulk materials, and surfaces. The code to be used will be "XYZ-LIBRARY"

 

Having said that I am from Electronics and Computer Science background; my strengths would specifically lie in

 

* Programming Languages - Python, C, Java etc

* Engineering: I have good foundations in Engineering Physics, Mathematics.

* I can do classical mechanics etc but quantum mechanics is not my cup of tea

* I can do Math as long as its not inventing "Principia Mathematica"

 

Now, I would like to specifically know about the research project I have been assigned:

 

1. Is it in my scope? (I like computational science but I never touched this area, materials science)

2. Will I be able to successfully do it?

3. What are the specific skills I need for this project?

4. The words (LDA, PBE..) in the project are pretty new for me; What would be the major work area of the project? programming? Math (in what areas)?

5. I am guy, who is looking to have a awesome research career in computing - Is this going to help me?

6. Having read the above questions, let me know if there is anything that would help me!

 

Many thanks