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Inorganic Chemistry|July 6, 2023
Effect of Octahedral Connectivity on the Negative Thermal Expansion of SrZrS3Nathan Z Koocher, James M RondinelliNature Communications|January 31, 2015
Massive band gap variation in layered oxides through cation orderingPrasanna V Balachandran, James M RondinelliPhysical Chemistry Chemical Physics : PCCP|February 7, 2024
Metallicity and chemical bonding in anti-anatase Mo2NLauren N Walters, James M RondinelliNature Materials|June 14, 2016
Epitaxial-strain-induced polar-to-nonpolar transitions in layered oxidesXue-Zeng Lu, James M RondinelliNature Communications|August 1, 2018
The must-have and nice-to-have experimental and computational requirements for functional frequency doubling deep-UV crystalsP Shiv Halasyamani, James M RondinelliAdvanced Materials (Deerfield Beach, Fla.)|July 13, 2011
Structure and properties of functional oxide thin films: insights from electronic-structure calculationsJames M Rondinelli, Nicola A SpaldinJournal of Physics. Condensed Matter : an Institute of Physics Journal|October 6, 2017
Electrochemical phase diagrams of Ni from ab initio simulations: role of exchange interactions on accuracyLiang-Feng Huang, James M RondinelliJournal of Physics. Condensed Matter : an Institute of Physics Journal|July 7, 2022
Benchmarking structural evolution methods for training of machine learned interatomic potentialsMichael J Waters, James M RondinelliAdvanced Materials (Deerfield Beach, Fla.)|April 11, 2012
Octahedral rotation-induced ferroelectricity in cation ordered perovskitesJames M Rondinelli, Craig J FennieJournal of Physics. Condensed Matter : an Institute of Physics Journal|August 5, 2021
Energy contour exploration with potentiostatic kinematicsMichael J Waters, James M RondinelliPageof 15