Select Projects
Please don't hesitate to contact me for discussions on these projects
Data-Driven Methods for Accelerated Materials Discovery: Mechanical Property Prediction in Re-Processable Thermoset Systems
2020 - present
Massachusetts Institute of Technology
Manuscript in Preparation
Time-efficient and novel molecular approaches are imperative to address critical challenges in materials design. Recent advances in computational abilities allow virtual screening methods to accelerate molecular and materials discovery. Breakthroughs in high-throughput virtual screening, generative graph networks, and the development of reprocessable thermoset systems provides a streamlined approach to accelerated discovery of environmentally conscientious and mechanically improved thermoset systems. Thermosets and thermoset composites represent a class of materials with increasing market growth, and detrimental environmental impact due to their lack of reprocessability. Recent advancements in the development of degradable thermosets shows promising retainment of mechanical properties whilst degrading the network into upcyclable fragments via the introduction of degradable comonomers into the system. The employment of generative machine learning models coupled with property predicting tasks allows for the identification of novel comonomers yielding targeted materials properties in the emerging systems.
Post-Synthetic Modification of Covalent Organic Frameworks
2017-2018
Waller, P. J.; Alfaraj, Y. S.; Diercks, C. S.; Jarenwattananon, N. N.; Yaghi, O. M. Journal of the American Chemical Society 2018, 140 (29), 9099–9103.
UC Berkeley
My work revolved around the development of new linking chemistries in Covalent Organic Frameworks (COFs) through post-synthetic modification. The development of extended structures such as COFs for the purpose of sequestration, organic electronics, and high surface-area catalysis makes it a gripping field. The employment of post-synthetic modifications instead of de novo synthesis allows for the exploitation of the crystalline nature of known-COFs, which are formed through reversible and less stable chemistries, to yield irreversible and hence more stable linkages without compromising the materials’ crystallinity. I concentrate on the development of new linkers for COF synthesis, as well as explore possible linkers for MOFs with water-harvesting abilities. Since joining the lab I have studied the development of porous porphyrin COFs, which are interesting for electronic purposes, and explored the employment of well-studied molecular reactions at targeted positions in extended structures to yield new linking chemistries. Most notably, I have worked on the development of azole-linked COFs from known imine precursors. This proves challenging due to the irreversibility of azole-bonds leading to low-surface areas and amorphous materials when developed de novo. To overcome this challenge, I worked on optimizing reaction conditions to introduce linkers with moieties allowing for cyclization and subsequent oxidation. I was able to yield porous, crystalline benzoxazole and previously unreported benzothiazole-linkages from imine-linked COFs (IL-COF) at high conversion rates.
Optical Tracers for Enhanced Oil Recovery
Summer 2017
Oil recovery endeavors in the Kingdom of Saudi Arabia are heavily reliant on trial-and-error based investigations of suspected reserves. Better understanding of aquifer mapping allows for the provision of geological databases to help aid in sustaining depleting oil reserves, as well as minimizes economic and energetic costs associated with oil recovery. One means of improving aquifer mapping includes the deployment of different tracers at varying water pumping sites, and assessing their presence in the extracted petroleum to mitigate water-waste and streamline efforts to interconnected aquifers.
One class of possible tracers includes optically active tracers. Optically active tracers are often ignored in oil extraction efforts due to the crude oil's fluorescence in almost all of the visible range. This fluorescence background can be eliminated through the use of time-resolved detection. In this project, I developed a system of FRET-active optical tracers whose fluorescence life-time exceeded that of crude oil.
3D Fluorescence Mapping of Arab-D Crude Oil
Time-Gated FRET for the Elimination of Oil
Fluorescence Background