Sandeep Kumar Singh

6 Questions 17 Answers 0 Followers

Questions related from Sandeep Kumar Singh

How to calculate shear stress and shear strain in Lammps for any structure?

Hello everyone, I am trying to calculate shear-stress vs shear strain in Graphene. I made two group of atoms upper and lower, out of which for upper, I setforce 0, 0, 0 and for lower gave constant...

05 May 2019 3,242 8 View

How to make LAMMPS with CUDA? What is the difference between kokkos_omp and kokkos_cuda?

Hello everyone, I want to make lammps with CUDA package. But I have confusion, which is the best speed booster package in lammps whether it is mpirun, kokkos_omp or kokkos_cuda. If anyone have...

02 February 2019 9,287 1 View

How can one model carbon atoms at the octahedral interstitial positions of Fe-BCC?

I want to simulate the austenite to martensite phase transition of Iron - Carbon system using molecular dynamics. I am positioning carbon atoms using create_atoms single command. Is there any...

01 January 2019 1,574 4 View

On which factors energy minimization of a material depends in LAMMPS?

I want to minimize energy for MoS2, but when I try it with NPT ensemble, all the atoms changes its position.

10 October 2018 3,756 0 View

How to generate Lammps Potential file for MoS2 using DFT and Machine learning?

I want to generate potential file for MoS2 structure for energy storage purpose ( Supercapacitors ). How to use DFT and Machine learning for generating potential file of LAMMPS?

07 July 2018 9,180 0 View

How can Lammps work in Windows 10? please give the installation instructions?

Lammps a software

01 January 2018 8,237 7 View