Anton Perera
Computational Chemist
Lexington,KY
Skills
Molecular Dynamics (MD)undefined
Summary
Skilled computational chemist with expertise in materials chemistry, computer-aided drug design, and a strong background in physical chemistry and chemical physics, contributing to multiple lead-author publications showcasing advanced computational techniques and understanding of experimental methodologies.
Proficient in software and hardware integration, high-performance computing, and cutting-edge simulation tools, optimizing computational workflows and utilizing state-of-the-art technology to boost research efficiency and innovation.
Adept at fostering interdisciplinary collaborations with experimentalists, using excellent communication and problem-solving skills to bridge the gap between theoretical predictions and experimental data, ensuring project success and promoting a collaborative research environment for scientific advancement.
Education
Ph.D. - Chemistry
08.2018 - Current
GPA: 3.84/4.00
PhD Advisors: Prof. Chad Risko, Prof. Susan Odom
Bachelor of Science - Chemistry
01.2012 - 05.2015
Graduated with honors (second class upper division)
Work History
Graduate Research Assistant
University of Kentucky
Lexington, KY
05.2019 - Current
- Served as the lead computational chemist in the Odom lab producing three first-author and one lead computational author manuscripts (published and in-pipeline) and contributed to securing grant proposals performing computational simulations, theoretical calculations, and predictive modeling collaborating with experimental chemists from multiple universities and national labs across the USA, under the Joint Center for Energy Storage Research (JCESR), a Department of Energy (DOE) energy innovation hub.
- Collaborated with computational chemists and experimentalists from Risko lab and other partnering institutions in understanding solvation, crystallization, and molecular packing of organic materials geared towards energy storage leading to two published and in-pipeline manuscripts as the lead computational author.
- Developed and validated computational workflows and tools for theoretical calculations and analysis of molecular dynamics simulations.
Graduate Teaching Assistant
University of Kentucky
Lexington, KY
08.2018 - 05.2019
- Conducted undergraduate general chemistry laboratory courses at the University of Kentucky.
Assistant Research Technologist
University of Kentucky, Industrial Technology Institute
Colombo
08.2017
- Served as the computational lead in the project, in-silico and in-vitro screening of natural products against enzymes responsible for common diseases leading to three technical abstracts in international conferences and multiple grant reports.
- Implemented a computational workflow with GPU acceleration for mining and in-silico screening of a natural product database and trained chemists to continue similar projects.
- Collaborated with multiple scientists within the institute in developing cosmeceuticals from natural product extracts leading to two peer-reviewed manuscripts (published and in review).
Graduate Teaching Assistant
Institute of Chemistry Ceylon
Colombo
07.2016 - 07.2017
- Pioneered the establishment of the Computational Research and Learning Center (CRLC) at the Institute of Chemistry and conducted and mentored multiple research projects leading to presentations in three research symposia in Sri Lanka and overseas.
- Served as the Assistant Secretary of Educational Affairs at the Institute of Chemistry Ceylon from 2016 to 2017.
- Served as the teaching assistant in charge of the Computational Research and Learning Center (CRLC) at the Institute of Chemistry.
Affiliations
American Chemical Society (ACS)
Associate Member | March 2021 - Present
Electrochemical Society (ECS)
Member | March 2020 - Present
University of Kentucky Student Chapter- President 2021, Vice president 2020
Institute of Chemistry Ceylon (IChemC)
Associate Member | March 2016 - Present
Royal Society of Chemistry (RSC)
Affiliate undergraduate member | 2014 - 2016
University of Kentucky Chemistry Graduate Students' Association
Member | August 2018 - Present
Treasurer | 2021-2022
Overview
7
7
years of professional experience
8
8
years of post-secondary education
Selected Publications
- Perera, A. S., Suduwella, T. M., Attanayake, N. H., Jha, R. K., Eubanks, W. L., Shkrob, I. A., Risko, C., Kaur, A. P., & Odom, S. A. (2022). Large variability and complexity of isothermal solubility for a series of redox-active phenothiazines. Materials Advances, 3(23), 8705–8715
- Stumme, N., Perera, A. S., Horvath, A., Ruhunage, S., Duffy, D. H., Koltonowski, E. M., Tupper, J., Dzierba, C., McEndaffer, A. D., Teague, C. M., Risko, C., & Shaw, S. K. (2023). Probing Redox Properties of Extreme Concentrations Relevant for Nonaqueous Redox-Flow Batteries. ACS Applied Energy Materials, 6(5), 2819–2831.
- Liyanaararchchi, G. D., Perera, A. S., Samarasekera, J. K. R. R., Mahanama, K. R. R., Hemalal, K. D. P., Dlamini, S., Perera, H. D. S. M., Alhadidi, Q., Shah, Z. A., & Tillekeratne, L. M. V. (2022). Bioactive constituents isolated from the Sri Lankan endemic plant Artocarpus nobilis and their potential to use in novel cosmeceuticals. Industrial Crops and Products, 184(May), 115076.
Selected Publications
- Perera, A. S., Suduwella, T. M., Attanayake, N. H., Jha, R. K., Eubanks, W. L., Shkrob, I. A., Risko, C., Kaur, A. P., & Odom, S. A. (2022). Large variability and complexity of isothermal solubility for a series of redox-active phenothiazines. Materials Advances, 3(23), 8705–8715
- Stumme, N., Perera, A. S., Horvath, A., Ruhunage, S., Duffy, D. H., Koltonowski, E. M., Tupper, J., Dzierba, C., McEndaffer, A. D., Teague, C. M., Risko, C., & Shaw, S. K. (2023). Probing Redox Properties of Extreme Concentrations Relevant for Nonaqueous Redox-Flow Batteries. ACS Applied Energy Materials, 6(5), 2819–2831.
- Liyanaararchchi, G. D., Perera, A. S., Samarasekera, J. K. R. R., Mahanama, K. R. R., Hemalal, K. D. P., Dlamini, S., Perera, H. D. S. M., Alhadidi, Q., Shah, Z. A., & Tillekeratne, L. M. V. (2022). Bioactive constituents isolated from the Sri Lankan endemic plant Artocarpus nobilis and their potential to use in novel cosmeceuticals. Industrial Crops and Products, 184(May), 115076.
Manuscripts in Preparation
- Perera, H. D. S. M., Perera, A. S., Samarasekera, J. K. R. R., Handunnetti, S. M., Weerasena, O. V. D. S. J., Dlamini, M. S., Liyanaarachchi, G. D., Alhadidi, Q., Shah, Z. A., Tillekeratne, L. M. V, In-vitro and in-silico investigation of bioactive compounds from Osbeckia octandra: A bioguided approach. Bioorganic Chemistry. Submitted.
- Perera, A. S., Sornberger, P., Ruhuanage, S., Risko, C., Kaur, A. P.,Odom, S. A. Exploring the impact of the oxidation state and the electric potential on the dynamics and interactions of N-(2-(2-methoxyethoxy)ethyl) octafluorophenothiazineon graphite surfaces: A classical molecular dynamics approach. In preparation. 2023
- Perera, A. S., Wang, Y., Ruhuanage S., Ewoldt R. H., Risko, C. M., Kaur, A. P., Odom, S. A., Investigation of the Effect of Anion Identity on Solubility of N-(2-(2-methoxyethoxy)ethyl) phenothiazine. In preparation. 2023
Presentations and Posters
- Perera, A. S., Kaur, A. P., Risko, C. M., Odom, S. A In-silico investigation of the effect of anion identity on the solubility of N-(2-(2-methoxyethoxy)ethyl) phenothiazine (MEEPT). American Chemical Society, Spring National Meeting 2023.
- Perera, A. S., Stumme N., Ruhunage S., Horvarth A., Shaw, S, Risko, C. M., Computational Investigation of the Dynamics of Extreme Concentrations Relevant for Nonaqueous Redox-Flow Batteries. Annual NAFF Symposium, University of Kentucky 2023.
- Perera, A. S., Kaur, A. P., Risko, C. M., Odom, S. A. Exploring the Impact of the Oxidation State and the Electric Potential on the Dynamics and Interactions of N-(2-(2-methoxyethoxy)ethyl)octafluorophenothiazineon Graphite Surfaces: A Classical Molecular Dynamics Approach. American Chemical Society, Spring National Meeting 2022.
- Perera, A. S., Suduwella, T. M., Jha, R. K., Kaur, A. P., Watrous, A., Robinson, S., Sigman, M. S., Risko, C. M., Odom, S. A., Combined Computational and Experimental Approach to Determine and Understand the Solubility of Phenothiazines as Redoxmers. ECS Meeting Abstracts 2021, MA2021-02 (58), 1679-1679.
- Perera, A. S., Ranasinghe, P., Ratnaweera, C. N. & Udawatte, C. S. In-silico screening of xanthone derivatives from Sri Lankan natural products against acetylcholinesterase. in Proceedings of International Conference on Drug Discovery & Development Colombo Sri Lanka 2017.
- Perera, A. S., Premakumara, G. A. S., Ratnaweera, C. N. & Udawatte, C. S. Xanthone derivatives from natural products found in Sri Lanka as acetylcholinesterase inhibitors; an in-silico approach. Chemistry in Sri Lanka 34, 2017.
- Perera, A. S., Premakumara, G. A. S., Ranasinghe, P., Jayasinghe, P. & Ratnaweera, C. N. In-silico study of Acetylcholinesterase inhibitors from xanthone derivatives from natural products found in Sri Lanka. in Proceedings of Biennial Research Symposium of Industrial Technology Institute 2017.
- Perera, A. S. & Udawatte, C. S. Molecular Docking Studies of Human K-Ras Protein with Coumarin Derivatives. Chemistry in Sri Lanka 33, 2016.
- Perera, A. S. & Udawatte, C. S. Molecular Docking Studies of Human K-Ras Protein with P34 Derivatives. in Proceedings of 16th Asian Chemical Congress in Dhaka, Bangladesh 2016.
- Perera, A. S., Guruge, A. G. & Udawatte, C. S. Binding of K-Ras to P34 and its derivatives; a molecular docking approach. in Proceedings of International Conference on Chemical Education and Research for Industrial Development & Sustainable Growth in a Knowledge-Based Economy 2014.