Streamlit Predictive App
Developed a Python-based Streamlit web app for predictive analytics, reducing R&D testing time by 70%. Deployed for 10+ P&G team members to model material properties.
- Built a machine learning app with real-time data visualization, enhancing decision-making.
- Technologies: Python, Streamlit, pandas, numpy, Jupyter.
Python Data Pipeline
Created Python pipelines using pandas and numpy for high-throughput analysis, screening 100+ datasets and cutting processing time by 30%.
- Automated molecular property analysis to guide materials research.
- Technologies: Python, pandas, numpy, matplotlib.
Publications
Contributed to multiple peer-reviewed publications in computational chemistry and materials science, advancing research in organic cation sorption, potassium-ion batteries, molecular baskets, and molecular conformations.
- Sahraeian, T.; Kulyk, D. S.; Fernandez, J. P.; Hadad, C. M.; Badu-Tawiah, A. K. “Capturing Fleeting Intermediates in a Claisen Rearrangement Using Nonequilibrium Droplet Imbibition Reaction Conditions.” Anal. Chem. 2022, 94 (43), 15093–15099. DOI: 10.1021/acs.analchem.2c03268
- Scott, S.; Fernandez, J. P.; Hadad, C. M.; MacKay, A. “Molecular Docking as a Tool to Examine Organic Cation Sorption to Organic Matter.” Environ. Sci. Technol. 2022, 56 (2), 951–961. DOI: 10.1021/acs.est.1c06147
- Wolfson, E. R.; Schkeryantz, L.; Moscarello, E. M.; Fernandez, J. P.; Paszek, J.; Wu, Y.; Hadad, C. M.; McGrier, P. L. “Alkynyl-Based Covalent Organic Frameworks as High-Performance Anode Materials for Potassium-Ion Batteries.” ACS Appl. Mater. Interfaces 2021, 13 (35), 41628–41636. DOI: 10.1021/acsami.1c10870
- Gunther, M. J.; Pavlović, R. Z.; Fernandez, J. P.; Zhiquan, L.; Gallucci, J.; Hadad, C. M.; Badjić, J. D. “Stereo- and Regioselective Synthesis of Molecular Baskets.” J. Org. Chem. 2019, 84 (7), 4392–4401. DOI: 10.1021/acs.joc.9b00330
- Parkin, S. R.; Coldren, W. H.; Fernandez, J. P.; Hadad, C. M.; Behrman, E. J. “Polymorphism, Crystal Packing, Twinning, and Molecular Conformations in 5'-Halo-5'-deoxyguanosines and a Hydrate of the Pseudo-halide Analogue, 5'-Azido-5'-deoxyguanosine.” Crystal Growth & Design 2018, 18 (11), 6995–7005. DOI: 10.1021/acs.cgd.8b01162