2 papers
cond-mat.mtrl-sci2025
Atomic relaxation and flat bands in strain-engineered transition metal dichalcogenide bilayer moiré systems
Sudipta Kundu, Indrajit Maity, Robin Bajaj +2
Strain-induced lattice mismatch leads to moiré patterns in homobilayer transition metal dichalcogenides (TMDs). We investigate the structural and electronic properties of such str…
cond-mat.mtrl-sci2024
Quantum MASALA: Quantum MAterialS Ab initio eLectronic-structure pAckage
Shri Hari Soundararaj, Agrim Sharma, Manish Jain
We present Quantum MASALA, a compact package that implements different electronic structure methods in Python using the plane-wave basis. Within just 8100 lines of pure Python code…