Recent advances in density functional theory approach for optoelectronics properties of graphene

AL Olatomiwa, T Adam, CO Edet, AA Adewale, A Chik… - Heliyon, 2023 - cell.com
Graphene has received tremendous attention among diverse 2D materials because of its
remarkable properties. Its emergence over the last two decades gave a new and distinct …

[HTML][HTML] MISTER-T: An open-source software package for quantum optimal control of multi-electron systems on arbitrary geometries

Y Chen, MS Okyay, BM Wong - Computer Physics Communications, 2024 - Elsevier
We present an open-source software package, MISTER-T (Manipulating an Interacting
System of Total Electrons in Real-Time), for the quantum optimal control of interacting …

Quantum Optimal Control of Many-Body Kohn-Sham Systems on Two-Dimensional Domains With Nonregular Meshes

Y Chen - 2024 - search.proquest.com
Density functional theory (DFT) is an effective computational model, which enables
calculations of properties and dynamical evolution under external fields for quantum many …