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I will perform dft calculations and theoretical studies
Welcome
I am Safi, a cybersecurity analyst with over 2 years of experience. I'm here to help you research and write articles on cybersecurity and cloud computing. When working with me, be assured of t...
About this Gig
As a doctoral student in theoretical and computational chemistry, I offer expert assistance in DFT calculations and simulations using ORCA and Gaussian software. My services include:
- Structure Optimization: Achieving stable molecular geometries.
- Non-Linear Optics (NLO): Analyzing molecular responses to electric fields.
- FMO Study: Exploring electronic structure and reactivity.
- Natural Bond Orbital (NBO) Analysis: Investigating bonding and charge distribution.
- Density of States (DOS): Evaluating electronic structure.
- Quantum Theory of Atoms in Molecules (QTAIM): Studying molecular properties and interactions.
Contact me for a tailored list of properties and calculations to support your research needs. Let's collaborate to advance your projects with precision and expertise.
Language:
English
•
Punjabi
•
Urdu
Delivery style preference
Please inform the freelancer of any preferences or concerns regarding the use of AI tools in the completion and/or delivery of your order.
FAQ
What types of calculations do you offer?
I perform DFT calculations, CCSD(T) simulations, and a range of other computational chemistry studies such as structure optimization, NLO properties, FMO studies, NBO analysis, DOS, and QTAIM.
What software do you use for simulations?
I use ORCA and Gaussian software for DFT and CCSD(T) simulations
What information do you need to start a project?
Please provide the molecular structure (preferably in XYZ format) and any specific calculation requirements or properties you want to analyze.
How long does a typical project take?
Project timelines vary depending on the complexity and the number of calculations needed. I will provide an estimated timeline upon reviewing your requirements.
How do you ensure the accuracy of your results?
I use advanced methodologies and software tools and validate results through established benchmarks and comparison with literature data, if applicable.
How will I receive the results?
I will provide you with detailed reports, including data, visualizations, and interpretations. Results can be delivered in your preferred format (e.g., PDF, Excel).
