Matter Modeling
Pranav kumar's user avatar
Pranav kumar's user avatar
Pranav kumar's user avatar
Pranav kumar
  • Member for 2 years, 10 months
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Research scholar at Indian institute of technology madras, Chennai

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All Questions Answers
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question
16
Creating Interatomic Potential for Lammps using DFT
Jun 14, 2021
answer
14
Python script for convergence test
May 27, 2021
answer
10
LAMMPS: Why does the NVT fix vary in temprature step-by-step even though I am giving an initial and final temp of 1500K?
Oct 27, 2022
answer
8
Is it possible to use multiple files to define eam potential in LAMMPS?
Jul 11, 2022
answer
8
What are some open-source codes that can generate potentials?
Apr 14, 2022
answer
8
How to run multiples VASP files named as POSCAR-XYZ
Aug 17, 2021
question
8
Calculation of linear coefficient of thermal expansion using VASP-Phonopy for Hexagonal material
Mar 27, 2021
question
7
Case study : Symmetry operation between VASP and Quantum espresso
Nov 4, 2021
question
7
Calculation of ionization energy for an alloy
Sep 21, 2021
question
7
Scaling and speed-up of real-space DFT calculations using finite elements approach
Apr 30, 2022

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