@Sankhasubhra-Mukhopadhyay

Sankhasubhra Mukhopadhyay

3 Questions 4 Answers 0 Followers

Questions related from Sankhasubhra Mukhopadhyay

​ Regarding Virtual XRD pattern using LAMMPS ?

Sir, I am comparing virtual XRD pattern generated from Lammps with XRD pattern coming out from DFT (Materials Project). Distortion in atomic coordinates, i.e. distortion in 2theta value for...

22 May 2024 6,671 0 View

How to perform MD simulation to calculate point defect concentration with temerature?

any reference for code is very beneficial to me. also how to relate this with diffusion in lammps

15 May 2024 450 4 View

For EAM potential development in many places use ab-initio MD in DFT for generation of forces and final atomic coordinates. Why through ab-initio MD ?

Why ab-initio MD and at what temperature I have to take for potential generation?

09 April 2024 2,718 3 View

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