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cond-mat.mtrl-sci2026
Discovery of High-Voltage Magnesium-Ion Cathodes using Machine Learning and First-Principles Calculations
Jhon Rogelnor A. Florida, Edward Aris D. Fajardo
Developing high-performance cathode materials for magnesium-ion batteries (MIBs) remains challenging because Mg ions move slowly, and conventional materials exhibit low volt…
cond-mat.mtrl-sci2024
Formation Energy Prediction of Material Crystal Structures using Deep Learning
V. Torlao, E. A. Fajardo
Determining the stability of chemical compounds is essential for advancing material discovery. In this study, we introduce a novel deep neural network model designed to predict a c…