Matter Modeling Beta
Rashid Rafeek
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  • Member for 1 year, 5 months
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About

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

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22 Examples for results obtained from modeling materials having had a direct impact in discovery of new materials Apr 29 '20
15 What are good resources to learn to code for matter modeling? Nov 6 '20
13 Computing phonon dispersion from molecular dynamics simulations? May 3 '20
9 How to analyze the space group of a relaxed structure that has fractional site occupancies Jun 12 '20
8 Is it possible to use the Parrinello-Rahman barostat for NPT simulations in CP2K? May 26 '20
7 ASE: why do I get warnings about "monoclinic" and "orthorhombic" not being interpreted? Mar 9
3 How to edit the first line of XYZ file? Sep 9
3 How to sort a supercell for a molecular crystal? Apr 2
3 How to discard molecules at the boundary in the Atomic Simulation Environment (ASE)? Apr 24

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