Luke Gibson Postdoctoral Research Associate—Computational Chemist Contact GIBSONLD@ORNL.GOV All Publications Improving Rare-Earth Mineral Separation with Insights from Molecular Recognition: Functionalized Hydroxamic Acid Adsorption onto Bastnäsite and Calcite Liquid–Vapor Phase Equilibrium in Molten Aluminum Chloride (AlCl3) Enabled by Machine Learning Interatomic Potentials... Tracing mechanistic pathways and reaction kinetics toward equilibrium in reactive molten salts Structure of the Bastnäsite (001) Surface by Crystal Truncation Rod X-ray Diffraction and Ab Initio Molecular Dynamics: Implications for Separations of a Rare Earth Ore Mineral Multiobjective Hyperparameter Optimization for Deep Learning Interatomic Potential Training Using NSGA-II Characterization of Lanthanum Monazite Surface Chemistry and Crystal Morphology through Density Functional Theory and Experimental Approaches Key Links Organizations Computing and Computational Sciences Directorate Computational Sciences and Engineering Division Advanced Computing Methods for Physical Sciences Section Computational Chemistry and Nanomaterials Sciences Group Physical Sciences Directorate Chemical Sciences Division Separations and Polymer Chemistry Section Chemical Separations Group
