Hi, I am Harith Ayodya
Computational Chemistry Researcher
I’m passionate about combining computational chemistry, molecular modeling, and software development to solve real world scientific problems.
Current Occupation
Temporary Teaching Assistant, Faculty of Science, University of Colombo
Education
BSc Honors in Computational Chemistry, University of Colombo (June 2025)
Other Working Experience
Web Developer at ITSC, University of Colombo
Scholarly Interests
- Computational Drug Discovery
- Molecular Modeling
- Molecular Dynamics Simulations
- QM/MM Theories
Research Experience
Computational Chemistry Researcher at Dr. W. M. C. Sameera’s Research Group
Researcher at Dr. Gayathri N. Silva’s Research Group
Undergraduate Research Summary
Project Title: Screening for High-Affinity DNA Aptamers Targeting the Extracellular Domain of CD36 Using In-Silico Methods
Duration: April 2024 – April 2025
This research focuses on building a computational workflow to design and evaluate DNA aptamers targeting the CD36 extracellular domain. My work includes structure preparation, generating mutated aptamer libraries, running molecular dynamics simulations, performing docking studies, and analyzing interaction interfaces.
Automated Quantum Chemistry Workflow
Developed a Python-based workflow to automate quantum chemical simulations with Gaussian 16. Includes automated input generation, batch job execution, and SCF-energy extraction from log files for streamlined analysis.
Tools Used : Python, Gaussian 16, Zsh (Linux)