vdos

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MdAnowarulShafinKhan / GaS-GaSe-InSe-thermal-transport-md

Molecular dynamics study of thermal transport in monolayer GaS, GaSe and InSe under strain and vacancy defects, including NEMD, VDOS and phonon analysis.

python lammps kappa ovito thermal-transport atomsk monolayer vdos

Updated Sep 15, 2026
Python

MdAnowarulShafinKhan / h-AlN-MoS2-thermal-transport-md

Star

Molecular dynamics study of thermal transport in monolayer h-AlN, monolayer MoS2, and h-AlN/MoS2 heterostructures using NEMD, ITC/TBC, and VDOS analysis.

phonons nemd thermal-transport vdos h-aln

Updated Sep 21, 2026
Sway

MdAnowarulShafinKhan / h-AlN-thermal-transport-nemd

Star

Molecular dynamics study of thermal transport in monolayer h-AlN: effects of temperature, tensile strain, pores, and B/Ga doping using LAMMPS NEMD.

python lammps langevin ovito nemd thermal-transport atomsk monolayer vdos h-aln

Updated Sep 15, 2026
Python

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