I will perform a dft simulation of advanced materials device design

I will perform professional DFT calculations for advanced materials and device design.

I provide reliable first-principles computational materials analysis for researchers, students, and professionals working in materials science, condensed matter physics, semiconductors, photovoltaics, and energy materials.

My DFT services include:

Structural optimization and lattice-parameter analysis

Electronic band structure and band-gap calculations

DOS/PDOS analysis

Charge-density and bonding analysis

Formation energy and defect calculations

Optical-property calculations

Band alignment and interface analysis

Comparative analysis of advanced materials

Publication-quality plots and scientific interpretation

I have hands-on research experience with DFT/CASTEP, computational condensed-matter physics, perovskite and lead-free perovskite materials, semiconductor systems, defects, and photovoltaic applications.

My goal is to provide scientifically meaningful calculations, accurate analysis, clear visualization, and research-ready results tailored to your specific project.

Please contact me before placing an order with your material/system, required properties, and research objective so I can confirm