Chemistry | Engineering | Materials Science Theoretical Prediction of Thermal Expansion Anisotropy for YSiO Environmental Barrier Coatings Using a Deep Neural Network Potential and Comparison to Experiment. January 23, 2024
Geophysics | Materials Science | Planetary Science Machine-Learning Accelerated First-Principles Accurate Modeling of the Solid-Liquid Phase Transition in MgO under Mantle Conditions. September 22, 2023
Chemistry | Materials Science | Physics Development and Validation of Versatile Deep Atomistic Potentials for Metal Oxides. January 9, 2023
Chemistry | Engineering | Material Science | Physics Electron-Volt Fluctuation of Defect Levels in Metal Halide Perovskites on a 100 ps Time Scale. June 30, 2022
Catalysis | Chemical Engineering | Renewable Energy Optimizing the Catalytic Activity of Pd-Based Multinary Alloys toward Oxygen Reduction Reaction. January 24, 2022
Chemistry | Materials Science | Physics Optimization and validation of a deep learning CuZr atomistic potential: Robust applications for crystalline and amorphous phases with near-DFT accuracy. April 23, 2020