Accelerating Materials Science with HT Computations and Machine Learning

Prof Ong’s review article as a finalist for the Rising Stars in Computational Materials Science is now available. This review outlines the efforts in the Materials Virtual Lab to integrate software automation, data generation and curation and machine learning to (i) design and optimize technological materials for energy storage, energy efficiency and high-temperature alloys; (ii) develop scalable quantum-accurate models, and (iii) enhance the speed and accuracy in interpreting characterization spectra.