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AI-POWERED DISCOVERY OF CHEMICALS AND MATERIALS




PUBLICATIONS


ACCELERATING THE ADOPTION OF RESEARCH DATA MANAGEMENT STRATEGIES

Medina, J., Ziaullah, A. W., Park, H., Castelli, I. E., Shaon, A., Bensmail, H.,
& El-Mellouhi, F. (2022). Matter, 5(11), 3614-3642.


INSIGHTS ON THE EFFECT OF WATER CONTENT IN CARBURIZING GAS MIXTURES ON THE METAL
DUSTING CORROSION OF IRON

Bentria, El Tayeb, et al. “Insights on the effect of water content in
carburizing gas mixtures on the metal dusting corrosion of iron.” Applied
Surface Science 579 (2022): 152138.


DEMOCRATIZING THE ASSESSMENT OF THERMAL ROBUSTNESS OF METAL–ORGANIC FRAMEWORKS

Satyanarayana Bonakala, Anas Abutaha, Palani Elumalai, Ayman Samara, Said
Mansour, and Fedwa El-Mellouhi ACS Omega 2022 7 (50), 46515-46523 DOI:
10.1021/acsomega.2c05345


FAUX-DATA INJECTION OPTIMIZATION FOR ACCELERATING DATA-DRIVEN DISCOVERY OF
MATERIALS

Ziaullah, A.W., Chawla, S. & El-Mellouhi, F. Faux-Data Injection Optimization
for Accelerating Data-Driven Discovery of Materials. Integr Mater Manuf Innov
12, 157–170 (2023).


AUTOMATED MODEL TRAINING (AMT) GUI: AN OPPORTUNITY FOR INTEGRATING AI IN THE
LABORATORY EXPERIMENT

Shakeel, M. B., Belhaouari, S. B., & Mellouhi, F. E. (2023). Automated Model
Training (AMT) GUI: An Opportunity for integrating AI in the Laboratory
Experiment. ArXiv. /abs/2311.13808


EFFICIENT AND SELECTIVE ELECTROCHEMICAL CO2 TO FORMIC ACID CONVERSION: A
FIRST-PRINCIPLES STUDY OF SINGLE-ATOM AND DUAL-ATOM CATALYSTS ON TIN DISULFIDE
MONOLAYERS


A HUMAN-IN-THE-LOOP APPROACH FOR VISUAL CLUSTERING OF OVERLAPPING MATERIALS
SCIENCE DATA

Satyanarayana Bonakala, Michael Aupetit, Halima Bensmail and Fedwa El-Mellouhi
Digital Discovery, 2024, 3, 502-513 10.1039/D3DD00179B


DATA-DRIVEN ENHANCEMENT OF CUBIC PHASE STABILITY IN MIXED-CATION PEROVSKITES

Park, Heesoo, et al. “Data-driven enhancement of cubic phase stability in
mixed-cation perovskites.” Machine Learning: Science and Technology 2.2 (2021):
025030.


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