Profile Details

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USD 15 /hr

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Hire Dr. Tolesa T.

Ethiopia

USD 15 /hr

PhD chemist | DFT expert | Skilled in VASP, GPAW, Gaussian, QE | Surface/interface modeling & data analysis

Profile Summary

I am Dr. Tolesa Tesfaye, a PhD holder in Chemistry with over 7 years of years of academic and applied research experience in computational chemistry, materials science, and environmental analysis. My core expertise lies in Density Functional Theory (DFT) calculations, surface and interface modeling, adsorption studies, and molecular simulations. I am highly proficient in using advanced quantum chemistry and materials modeling software such as GPAW, VASP, Quantum ESPRESSO, Gaussian, ORCA, Psi4, and Materials Studio for tasks including electronic structure calculations, surface reactivity analysis, energy optimization, and transition state modeling. I also use ASE GUI, Chimera/X, Avogadro, VESTA, GaussView, ChemDraw, ChemSketch, and Spartan for 2D/3D structural design, visualization, and surface modeling. My previous and ongoing projects include: #Surface interaction studies of gas molecules on metal and metal oxide surfaces using VASP and GPAW #Adsorption behavior of environmental pollutants on nanomaterials using DFT #Computational screening of catalyst materials for CO₂ reduction and hydrogen evolution reactions #Thermodynamic and kinetic modeling of surface reactions and charge transfer processes #Solvent effects and molecular docking in environmental remediation In addition to simulation work, I specialize in data analysis and scientific visualization using Python (NumPy, Pandas, Matplotlib, Seaborn, SciPy), Excel, SPSS, and OriginPro. I focus on delivering well-structured results and publication-ready graphs, and offer support in writing, editing, and interpreting scientific findings. I am also experienced in academic writing, formatting, and reference management using EndNote, Zotero, and Mendeley. I can format citations in APA, MLA, Chicago, or any journal-specific style. Whether you're a researcher, company, or academic in need of theoretical insights, high-level simulations, or publication support, I can deliver precise, reliable, and scientifically rigorous results tailored to your project

Subject Matter Expertise

• ☆ Catalysis
• ☆ Trace Elements
• ☆ Surface Science
• ☆ Molecular Engineering
• ☆ Physical Chemistry
• ☆ Electrochemistry
• ☆ Green Chemistry
• ☆ Quantum Chemistry
• ☆ Theoretical Chemistry
• ☆ Computational Chemistry
• ☆ Data Analysis

Services

• Writing
• Research
• Data & AI

Writing Technical Writing, General Proofreading & Editing

Research Meta-Research, Scientific and Technical Research, Systematic Literature Review

Data & AI Statistical Analysis

Work Experience

lecturer and researcher

Werabe University

October 2018 - September 2023

Education

PhD student (Chemistry)

Addis Ababa University

September 2023 - June 2026

MSc (Physical Chemistry)

Wollega University

October 2015 - July 2017

Bsc (Chemistry )

Dire Dawa University

October 2012 - July 2015

Certifications

• Technical Writing

  Addis Ababa University

  May 2024 - January 2025

Publications

JOURNAL ARTICLE

Tolesa Tesfaye, Haregot Tesfau, Dereje Abebe, Hussein Waritu (2024). Assessment of trace metal levels in water, sediment and fish tissue from Lake Small Abaya, Ethiopia . Discover Environment.

T. Tesfaye and H. Tesfau and A. Balcha and M. Hassen(2022). Assessment of the level of some selected heavy metals and physicochemical in Abzana water samples, Kibet woreda, Ethiopia . International Journal of Environmental Science and Technology. Springer Science and Business Media {LLC}