Tolesa T.

I am a computational chemistry and materials science expert with extensive experience in Density Functional Theory (DFT), surface/interface simulations, adsorption modeling, molecular-level environmental analysis and research writing. My research-driven approach uses reliable quantum chemistry tools to explore chemical reactivity, electronic structure, surface interactions, and pollutant behavior at the atomic scale. Scientific & Computational Expertise: I model metal/oxide surfaces, catalytic mechanisms, and adsorption processes. I calculate thermodynamic and kinetic parameters (e.g., adsorption energy, ΔG, activation energy), simulate key reactions (ORR, OER, HER, AOR, CO₂RR, N₂RR), and analyze band structure, DOS, charge transfer, and transition states. I also model pollutant interactions and design nanomaterials for clean energy and sensing applications. Software & Tools: Skilled in GPAW, VASP, Quantum ESPRESSO, Gaussian, ORCA, Psi4, VESTA, ASE GUI, GaussView, Chimera, Avogadro, and ChemDraw. I use Python, OriginPro, SPSS, and Excel for data analysis and visualization. Research & Writing Services: I write and edit manuscripts, reviews, proposals, and reports across chemistry, physics, materials science, and medical research. Proficient in citation tools like EndNote, Zotero, and Mendeley, and experienced in major referencing styles (APA, MLA, Vancouver, ACS, RSC, etc.). Publication & Visualization Support: I create graphical abstracts, ToC figures, and scientific illustrations tailored for top journals. I provide visuals for publications, presentations, and academic events, ensuring clarity and high quality. Tutoring & Mentorship: I offer tutoring in core chemistry subjects, helping students understand complex topics using simple explanations and visual aids. I also support thesis writing, assignments, and exam preparation.