I will do dft calculations, crystal structure optimization and materials modeling

Wajdanjamal

Pakistan

I speak English
I am a Physics graduate specializing in DFT calculations using WIEN2k. I provide complete WIEN2k simulations including structural optimization, band structure, DOS, charge density, and electronic prop...
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About this Gig

I provide professional DFT-based materials modeling and solid-state simulations for research, academic, and publication purposes.

I can help you with accurate and reliable calculations for a wide range of materials, including bulk solids, perovskites, and functional materials.

My services include:

Crystal structure optimization and lattice parameters

Electronic properties (band structure, DOS)

Optical properties

Mechanical properties (elastic constants)

Thermodynamic properties

Thermoelectric properties

Phonon calculations (phonopy) and stability analysis

All calculations are performed using well-established DFT methods, and results are delivered with clear explanations and publication-ready plots.

This gig is suitable for BS, MS, PhD students, researchers, and engineers who need high-quality simulation results for projects, theses, or journal papers.

Please contact me before placing an order to discuss your material system and requirements.

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do dft calculations, crystal structure optimization and materials modeling
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