Darshi Hewa Edirappulige
Syracuse,USA
Summary
Research professional specializing in quantum chemistry and computational molecular modeling with over 5 years of experience. Expertise in advanced ab initio methods for analyzing complex reaction mechanisms and kinetics. Proven track record of research excellence demonstrated through multiple publications and awards, along with active participation in scientific conferences. Experienced in teaching and mentoring, contributing to the scientific community through peer review and professional service.
Overview
7
7
years of professional experience
Work History
Research Project Assistant
SUNY College of Environmental Science & Forestry
06.2021 - Current
- Employed ab initio quantum chemistry software (Gaussian and ORCA) to model the redox chemistry of atmospheric mercury, investigating reaction mechanisms that are challenging to study experimentally, and providing insights into Hg oxidation pathways.
- Utilized computational visualization tools (GaussView, Avogadro, Chimera, and WebMo) to construct molecular structures, analyze quantum chemical output, and produce publication-quality figures for manuscripts and conference presentations.
- Specialized in applying single-reference (DFT, CCSD(T)) and multi-reference (CASSCF, MRPT2, & MRCI) quantum chemical methods to predict electronic structures, thermochemistry, and potential energy surfaces.
- Conducted kinetic modeling using KINTECUS, MULTIWELL, KTOOLS, and THERMO to constrain reaction kinetics, compute pressure- and temperature-dependent rate constants, and equilibrium constants for mercury reactions contributing to improved mechanistic understanding of Hg cycling.
- Experienced in using AIMAll and Multiwfn for analyzing non-covalent interactions, and related electronic structure properties.
- Proficient in executing and customizing computational workflows using the Linux command line interface and bash scripting to automate quantum chemical calculations.
- Familiarity with Python for programming
University of Peradeniya.| 2018
- Developed a base (KOH) activated coconut coir waste as an efficient and environmentally friendly adsorbent to remove fluoride ions from natural water in preventing fluorosis.
- Characterized the chemically activated coir using FTIR, UV-visible, XRF, and SEM-EDX to determine fluoride adsorption efficiency.
- Developed base-activated coconut coir to use as a filter material for commercial purposes.
Teaching Assistant
SUNY College of Environmental Science & Forestry
01.2021 - 12.2022
- Guided 20 to 30 first-year college students in conducting error-free experiments in a safer environment (General Chemistry Labs I and II).
- Conducted review sessions twice a week to assist students with lecture materials.
- Attended weekly TA meetings, and conducted previews of experiments to identify potential challenges for students during lab sessions.
- Examination proctoring and grading.
Assistant Editor of Ceylon Journal of Science
University of Peradeniya
01.2020 - 11.2020
- Manuscript screening, internal staff correspondence, editorial feedback correspondence.
Teaching Assistant
University of Peradeniya
01.2019 - 12.2019
- Environmental chemistry lab, zoology practical lab.
Education
Ph.D. Candidate - Environmental Chemistry
SUNY College of Environmental Science And Forestry
NY, USA05.2026
B.Sc. Honors Degree - Environmental Science
University of Peradeniya
Peradeniya, Sri Lanka12-2018
Skills
- Quantum chemistry and computational modeling
- Python programming
- Strong Microsoft Office skills (word, excel, PowerPoint)
- Scientific writing
- Excellent communication
- Organizational skills
Accomplishments
- Outstanding Student Poster Award for Exemplary Research, American Chemical Society National Meeting, Washington DC (2025)
- Chemistry Research Excellence Award, SUNY College of Environmental Science & Forestry (2025)
- Outstanding Graduate Student Poster Award, 27th International Symposium on Gas Kinetics & Related Phenomena, University of Leeds, UK (2024)
- University Award for Academic Excellence, University of Peradeniya, Sri Lanka (2018)
Professional Development & Training
- "From artificial intelligence and machine learning to agent-based science", EMSL summer school, Pacific Northwest National Laboratory (2025)
- Python programming & data structures, University of Michigan (2025)
- Fifth InSilicoSci Gaussian workshop, In Silico Science (2025)
- Empowering International Students for Career Excellence workshop, International Office, SUNY ESF (2024)
- Carpentries workshop on foundations of scientific computing, SUNY ESF (2023)
- Graduate Student Professional Development Workshop, Onondaga Community College (2023)
- Preventing Harassment & Discrimination Training, SUNY Research Foundation (2021-2025)
Professional Service & Mentoring
- Mentored three undergraduate students from Onondaga Community College on computational chemistry research projects resulting in poster presentations at campus research symposia (2023-2025)
- Assisted in a review of the paper titled 'Elevated Tropospheric Iodine over the Central Continental United States: Is Iodine a Major Oxidant of Atmospheric Mercury?' published in Geophysical Research Letters, American Geophysical Union (2024)
- Poster judge, Spotlight on Student Research Poster Contest, CNY Conference on Environmental Science & Studies, (2024)
- Graduate student poster judge in the 'Outstanding Student Presentation Award (OSPA) program', American Geophysical Union Fall Meeting (2023)
Presentations & Conferences
"Can Ozone Initiate Oxidation of Gaseous Hg(0)? Structure & Stability of HgO₃ & OHgOO Isomers"
- Poster Presentation, American Chemical Society National Meeting, Washington, DC (2025)
- Poster Presentation, Royal Society of Chemistry Global Poster Conference (#RSCPoster), online (2024)
"Computational Chemistry Re-interprets Lab and Field Studies of Nitrate Radical Initiation of Oxidation of Hg(0)"
- Flash Talk & Poster Presentation, 27th International Symposium on Gas Kinetics and Related Phenomena, University of Leeds, UK (2024)
- Oral Presentation, American Chemical Society Middle Atlantic Regional Meeting, Pennsylvania State University (2024)
- Poster Presentation, Royal Society of Chemistry Global Poster Conference (#RSCPoster), online (2024)
- Oral Presentation, American Chemical Society Spring Meeting, Indianapolis, IN (2023)
- Poster Presentation, IGAC-iCACGP Early Career Researcher Conference, online (2023)
- Oral Presentation, Regional Meeting on Kinetics and Dynamics (2023)
"Atmospheric Fate of HOHgO•: the Hg(II) Product of OH-Initiated Oxidation of Hg(0)"
- Poster Presentation, American Geophysical Union Fall Meeting (2023)
- Poster Presentation, American Chemical Society Spring National Meeting, Indianapolis, IN (2023)
- Oral Presentation, American Chemical Society Northeastern Regional Meeting, Rochester, NY (2022)
- Poster Presentation, International Conference on Mercury as a Global Pollutant (2022)
- Poster Presentation, American Geophysical Union Fall Meeting (2021)
Publications
- Hewa Edirappulige, D.T.; Castro, P. J.; Dibble, T.S. "Can Ozone Initiate Oxidation of Gaseous Hg(0)? Structure & Stability of HgO3 & OHgOO Isomers." Manuscript in preparation for J. Phys. Chem. A. (special issue).
- Hewa Edirappulige, D.T.; Cheng, L.; Castro, P. J.; Dibble, T.S. "Nitrate Radical Cannot Initiate Oxidation of Hg(0) to Hg(II) in the Laboratory or at Ground Level in the Atmosphere." Submitted to Environmental Science: Atmospheres. Preprint: ChemRxiv, doi:10.26434/chemrxiv-2024-qwh3w-v2.
- Hewa Edirappulige, D.T.; Becket, C.K.; Kirby, I.J.; Dibble, T.S. "Atmospheric Fate of HOHgO•: the Hg(II) Product of OH-Initiated Oxidation of Hg(0)." J. Phys. Chem. A. 2023, doi:10.1021/acs.jpca.3c04159.
- Ekanayake, B.P.K.; Hewa Edirappulige, D.T.; Perera, C.; Kottegoda, N. "Fast and High Adsorption of Cadmium Ions from Aqueous Solutions by Acid-Activated and Pyrolyzed Coconut Coir." Desalination and Water Treatment 2021, 241, 238-247. doi:10.5004/dwt.2021.27680.
Professional Memberships
- American Chemical Society (ACS) 2021 - Present
- American Geophysical Union (AGU) 2021 - Present
- Royal Society of Chemistry 2024 - Present
Timeline
Research Project Assistant
SUNY College of Environmental Science & Forestry
06.2021 - Current
Teaching Assistant
SUNY College of Environmental Science & Forestry
01.2021 - 12.2022
Assistant Editor of Ceylon Journal of Science
University of Peradeniya
01.2020 - 11.2020
Teaching Assistant
University of Peradeniya
01.2019 - 12.2019
Ph.D. Candidate - Environmental Chemistry
SUNY College of Environmental Science And Forestry
B.Sc. Honors Degree - Environmental Science
University of Peradeniya