mos2

MoS2 FET Simulation using COMSOL Multiphysics

Deep Reinforcement Learning Assisted Kirigami Design of 2D Material

The tutorials below show how to compute the optimizations, electronic band structure and vibrational modes of bulk MoS2 using Quantum Espresso.

Hands-on VASP tutorial: relax 2H-MoS2 with PBE+D3, then compare PBE and HSE06 band structures with KPOINTS_OPT and pymatgen. Inputs and scripts only.

Crystal growth simulator of TMD flakes - Python

A mathematically continuous, publication-grade MATLAB compact I-V model for Double-Gated MoS2 FETs simulating short-channel effects.

Python implementation of the electronic band structure of monolayer MoS₂ using the Slater–Koster tight-binding model.

Separate strain from carrier density in 2D-material Raman maps by two-mode inversion, with uncertainty propagation

Two Raman phonons measure the fixed edge charge that limits width scaling in monolayer semiconductor nanoribbon transistors: first-principles Gruneisen parameters, adjoint spectral inversion, energy-resolved and quantum transport with a resolved Schottky contact, and the published data and figures.

Educational browser game on electron-beam knock-on damage in graphene, hBN and MoS₂