I will dft calculations using orca for molecular property analysis

Tayyab Bhutta

Pakistan

I speak Urdu, Punjabi, English

InSilico Vaccine Designing, Molecular Docking, Researcher

Hi, I’m Tayyab, a Bioinformatics Researcher with expertise in molecular docking, GROMACS molecular dynamics (MD) simulations, protein modeling, and in silico vaccine design. I provide professional bio...
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About this Gig

Are you looking for accurate Density Functional Theory (DFT) calculations for your research, thesis, publication, or computational chemistry project? You are in the right place.

I provide reliable and high-quality DFT calculations using Gaussian and ORCA to investigate the structural, electronic, and chemical properties of molecules. Whether you are a researcher, graduate student, or industry professional, I can deliver publication-ready computational results tailored to your requirements.

Services I Offer:

  • Geometry Optimization
  • Frequency Analysis
  • HOMOLUMO Energy Calculations
  • Molecular Orbital (MO) Visualization
  • Molecular Electrostatic Potential (MEP) Maps
  • Electron Density Analysis
  • Dipole Moment Calculations
  • Global Reactivity Descriptors
  • TD-DFT (UV-Vis Spectra)
  • NBO Analysis
  • IR Spectra and Thermochemical Properties
  • Publication-Quality Figures
  • Detailed Computational Reports

Software & Tools:

  • Gaussian
  • ORCA
  • GaussView
  • Multiwfn
  • ChemCraft
  • Avogadro
  • IQmol

Why Choose Me?

  • Accurate and reproducible calculations
  • Research-oriented approach
  • Publication-ready figures and reports
  • Fast communication and timely delivery
  • Support for journal, MSc, and PhD projects
  • Confidential handling of your research
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