W. M. Uvin G De Alwis
Waco,TX
Summary
Ph.D. candidate at Baylor University with a strong background in leading and conducting multidisciplinary, collaborative, and independent research in computational materials chemistry with one year of industry exposure in experimental materials research and over four years of experience in computational materials chemistry. Currently focused on utilizing electronic structure methods supplemented by molecular dynamics simulations to unravel the photophysical and chemical properties of novel low-dimensional materials for applications in catalysis and optoelectronics while disseminating scientific knowledge through publications, presentations, and workshops.
Overview
7
7
years of professional experience
Work History
Graduate Research Associate
Baylor University
Waco, TX
08.2020 - Current
- Investigated the role of edge effects on ground state and excited state properties of edge functionalized phsophorene quantum dots employing Density Functional Theory (DFT) and Time Dependant Density Functional Theory (TD-DFT) in Gaussian
- Probed the opto electronic properties of Van der Waals heterojuctions comprising of edge functionalized phosphorene and graphene quantum dots for applications in photovoltaics and photcatalysis using DFT and TD-DFT in Gaussian
- Designed novel 2D aXMenes (a class of 2D Transition Metal Compunds) and evaluated its stability and electronic properties using DFT and Ab Initio Molecular Dynamics (AIMD) in VASP
- Evaluated the performace of 2D aXMenes as a substrate for the Hydrogen Evolution Reaction (HER) and as anode material for Li, Na and K ion batteries using DFT in VASP
- Evaluated the role of halogen bonding in non-covelently bonded crystals employing local mode analysis employing the LModeA code and DFT in gaussian
- Participated in grant writing.
Research & Development Chemist
Flintec Transducers (Pvt) LTD
Koggala, Sri Lanka
03.2018 - 06.2019
- Optimized photolithographic pattern development process using negative photo resists to reduce defects associated with the strain gauge manufacturing process
- Conducting studies on wet chemical etching of strain gauge alloy with acidic CuCl2 and FeCl3 etchants to improve etching efficiency
- Conducting thermal analysis studies to optimize epoxy resin curing for strain gauge bonding
- (DSC testing)
- Testing with temporary adhesives for process optimizations.
Undergraduate Research Associate
University of Colombo
Colombo, Sri Lanka
02.2017 - 12.2017
- Explored the interactions of Cu2+ ions on aniline coated metal surfaces using classical Molecular Dynamics (MD) simulations employing the GROMACS software platform.
Education
Ph.D. in Chemistry -
Baylor University
08.2024
M.Sc. in Chemistry -
Baylor University
05.2023
B.Sc. in Computational Chemistry -
University of Colombo
07.2018
Diploma in Management Accounting -
Charted Institue of Manegment Accountatns (CIMA)
01.2015
Skills
- Electronic structure (Gaussian, VASP)
- Molecular dynamics (Gromacs, VASP)
- HPC and HTC (PBS, Condor)
- Coding (Shell scripting, Python)
- OS (Linux, Mac OS, Windows)
- Visualization and data analysis (Multiwfn, Vaspkit, ACE, Vesta, Gauss View, VMD, Avogadro, Matplotlib, Pandas, NumPy, Excel, Gnuplot, LModeA)
- Scientific communication
- MS Office packages
Relevant Skills
Gaussian, VASP, Quantum Espresso, Psi4, Wien2k, CFOUR, GaussView, VMD, Avogadro, ACE, Vesta, XCrysden, Multiwfn, LModeA, Vaspkit, P4Vasp, Shell scripting (bash, zsh), Python, Fortran, NumPy, pandas, Matplotlib, Excel, gnuplot, User administration tools for local desktop and remote compute cluster and server environments, PBS, HTCondor, Docker hub, Singularity, macOS, Windows (95, XP, 7, 8, 10, 11), Linux (Ubuntu), Expertise with reference managers (Endnote and Zotero), Proficient at accessible scientific communication and public speaking to laymen and experts alike
Peer Reviewed Publications
- W. M. Uvin G. De Alwis, K. L. Shuford, Anisotropic Behavior of Optical Properties in Edge-Modified Phosphorene Quantum Dots, J. Phys. Chem. C, 2023, https://doi.org/10.1021/acs.jpcc.3c01463
- T. L. Ellington, D. P. Devore, W. M. Uvin G. De Alwis, K. A. French, K. L. Shuford, Shedding Light on the Vibrational Signatures in Halogen-Bonded Graphitic Carbon Nitride Building Blocks, ChemPhysChem, 2022, https://doi.org/10.1002/cphc.202200812
- W. M. Uvin G. De Alwis, K. L. D. M Weerawardene, T. L. Ellington, K. L. Shuford, Electronic Structure Modification of Rectangular Phosphorene Quantum Dots via Edge Passivation, J. Phys. Chem. C, 2021, https://doi.org/10.1021/acs.jpcc.0c09722
Publications In Progress
- W. M. Uvin G. De Alwis, K. L. Shuford, Nanoscale Quantum Dot Heterojunctions as Promising Photovoltaic Candidates, in manuscript writing stage
- W. M. Uvin G. De Alwis, Venkata Surya Kumar Choutipalli, K. L. Shuford, Computational Design of Novel 2D aXMene for Hydrogen Evolution Reaction, in manuscript writing stage
Poster Presentations
- W. M. Uvin G. De Alwis, Venkata Surya Kumar Choutipalli, K. L. Shuford, Computational Design of Novel 2D aXMene for Prospective Applications in Electrochemistry, South Western Regional Meeting (SWRM), Oaklahoma City, OK, 11/15/2023
- W. M. Uvin G. De Alwis, K. L. Shuford, Sheddding Light on Edge Functionalized QD's: Exploring Material Anisotropy with DFT & TD-DFT, TD-DFT workshop, Rutgers Newark NJ, 06/29/2023 - 07/07/2023
- W. M. Uvin G. De Alwis, K. L. Shuford, Optical Properties of Edge Functionalized Black Phosphorene Quantum Dots, 28th Austin Symposium on Molecular Structure (ASMD), Dallas Tx, 02/17/2023 - 02/20/2023
- W. M. Uvin G. De Alwis, K. L. D. M. Weerawardene, K. L. Shuford, Optoelectronic Properties of Edge Functionalized Quantum Dot Van der Waals Heterostructures, South Western Regional Meeting (SWRM), Baton Rouge, LA, 11/06/2022 - 11/09/2022
- W. M. Uvin G. De Alwis, D. P. Devore, Accelerating Chemical Innovation and Discovery One FLOP at a Time, Grad Recruiting Weekend, Baylor University, Waco Tx, 10/2022
- W. M. Uvin G. De Alwis, K. L. D. M. Weerawardene, K. L. Shuford, Pursuing Type II Heterostructures Using Low Dimensional Material Composites for Enhanced Photocatalytic Activity, Southeastern Regional Meeting (SERMACS), Birmingham, AL, 11/10/2021 - 11/13/2021
- W. M. Uvin G. De Alwis, K. L. D. M. Weerawardene, K. L. Shuford, Graphene Encapsulated Phosphorene Quantum Dots for Visible Light Driven Water Splitting, International Conference on Electronic Materials & XIX Brazilian Materials Research Society Meeting, 08/30/2021 - 09/03/2021
- W. M. Uvin G. De Alwis, K. L. D. M. Weerawardene, K. L. Shuford, Probing the Electrostatic Landscape of Phosphorene and Phosphorene/Graphene Composites via Edge Atom Passivation for advancements in HER and OER, American Chemical Society Meeting (ACS), Atlanta GA, 08/22/2021 - 08/26/2021
- W. M. Uvin G. De Alwis, K. L. D. M. Weerawardene, K. L. Shuford, Electronic Structure Modification of Monolayer Phosphorene via Edge Passivation, Southwest Theoretical and Computational Chemistry Meeting (SWTCC), Norman OK, 10/25/2019 - 10/27/2019
Oral Presentations
- W. M. Uvin G. De Alwis, Unlocking The Potential of 2D aXMenes: High-capacity Anode Materials for Metal-ion Batteries, American Chemical Society Meeting (ACS), New Orleans, LA, 03/21/2024 (scheduled)
- W. M. Uvin G. De Alwis, Cognizance of QD Van der Waals Heterostrcutures: An In-Depth DFT Study of Properties and Electrochemical Applications, South Western Regional Meeting (SWRM), Oaklahoma City, OK, 11/16/2023
- W. M. Uvin G. De Alwis, Exploring Solar Harvesting Efficiency: DFT insights into Quantum Dot Van der Waals Heterostructures for Enhanced Light Absorption, Coffee hour departmental seminar for Prof. Steven Schwartz (University of Arizona), Baylor University, 11/10/2023
- W. M. Uvin G. De Alwis, Low Dimensional Materials for Energy Harvesting and Storage, 3MT competition, Baylor University, 03/23/2023
- W. M. Uvin G. De Alwis, Evolution of Optical Properties in Anisotropic Low Dimensional Materials, Coffee hour departmental seminar for Dr. Orion Berryman (University of Montana), Baylor University, 04/14/2023
- W. M. Uvin G. De Alwis, K. L. Shuford, Anisotropic Behavior of Optical Properties in Edge Modified Phosphorene Quantum Dots, American Chemical Society Meeting (ACS), San Diego, CA, 03/20/2022 - 03/24/2022
- W. M. Uvin G. De Alwis, An Introduction to Computational Chemistry, Advanced Instrumentation Workshop Seminar, Baylor University, 10/23/2021
- W. M. Uvin G. De Alwis, Low Dimensional Materials for Energy Harvesting and Storage: A Theoretical Approach, Candidacy Examination (Departmental Seminar), Baylor University, 05/25/2021
Professional Awards
- Outstanding Graduate Student Research : STEM, https://graduate.baylor.edu/OGSRA, 2023
- Graduate Research Productivity Award, Spring 2022
- Baylor University Graduate Fellowship Award, 2019 - 2024
- Baylor University Graduate School Travel Award, 2019, 2021, 2022, 2023
Languages
English
Full Professional
Sinhala
Native/ Bilingual
References
References available upon request.
Timeline
Graduate Research Associate
Baylor University
08.2020 - Current
Research & Development Chemist
Flintec Transducers (Pvt) LTD
03.2018 - 06.2019
Undergraduate Research Associate
University of Colombo
02.2017 - 12.2017
Ph.D. in Chemistry -
Baylor University
M.Sc. in Chemistry -
Baylor University
B.Sc. in Computational Chemistry -
University of Colombo
Diploma in Management Accounting -
Charted Institue of Manegment Accountatns (CIMA)
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