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The Journal of Physical Chemistry Letters|June 20, 2026
Variation in the Spin-Splitting Magnitude from Dynamic Structural Distortions in 2D Hybrid PerovskitesAbhilash Patra, Nima Karimitari, W Joshua Kennedy, et al.Journal of Computational Chemistry|April 25, 2024
Improving the reliability of machine learned potentials for modeling inhomogeneous liquidsKamron Fazel, Nima Karimitari, Tanooj Shah, et al.The Journal of Chemical Physics|October 8, 2024
Bridging electronic and classical density-functional theory using universal machine-learned functional approximationsMichelle M Kelley, Joshua Quinton, Kamron Fazel, et al.Journal of the American Chemical Society|September 30, 2024
Accurate Crystal Structure Prediction of New 2D Hybrid Organic-Inorganic PerovskitesNima Karimitari, William J Baldwin, Evan W Muller, et al.ACS Omega|June 29, 2026
Development of Machine-Learned Interatomic Potentials to Predict Structure, Transport, and Reactivity in Platinum-Based Fuel CellsKamron Fazel, Sam Brown, Jacob Clary, et al.The Journal of Chemical Physics|November 13, 2025
A foundation model for atomistic materials chemistryIlyes Batatia, Philipp Benner, Yuan Chiang, et al.Pageof 1