nemd

Tools for computing spectral heat current distribution using LAMMPS NEMD simulations.

Codes to reproduce the results of: (1) Life and Death of a Thin Liquid Film, 2024, by Rahman et. al., and (2) Non-equilibrium molecular simulations of thin film rupture, J. Chem. Phys., 2023, by Rahman et al.

Calculation of thermal conductivity of graphene knot under strain

Anisotropic in-plane thermal conductivity observed in multilayer silicene

Three learning projects in C++: 2D Lennard-Jones MD, cell-list force optimization, and 3D reverse-NEMD thermal conductivity.

Thermal Conductivity of Si (bulk) for a block smaller than Phonon's mean free path. via NEMD Additionally the same experiment is planned to be performed on a modestly large systems , i.e., larger than phonons mean free path, (for both on bulk & nanowire) on HPC if managed!!