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ACS Applied Materials & Interfaces|December 9, 2024
Voltage Mining for (De)lithiation-Stabilized Cathodes and a Machine Learning Model for Li-Ion Cathode VoltageHaoming Howard Li, Qian Chen, Gerbrand Ceder, et al.
Physical Review Letters|December 9, 2017
Electronic-Structure Origin of Cation Disorder in Transition-Metal OxidesAlexander Urban, Aziz Abdellahi, Stephen Dacek, et al.
Journal of the American Chemical Society|February 1, 2017
Thermodynamics of Phase Selection in MnO2 Framework Structures through Alkali Intercalation and HydrationDaniil A Kitchaev, Stephen T Dacek, Wenhao Sun, et al.
Materials Horizons|August 14, 2025
Crystal structure prediction with host-guided inpainting generation and foundation potentialsPeichen Zhong, Xinzhe Dai, Bowen Deng, et al.
Chemistry of Materials : a Publication of the American Chemical Society|January 20, 2025
Evaluating Material Design Principles for Calcium-Ion Mobility in Intercalation CathodesJiyoon Kim, Dogancan Sari, Qian Chen, et al.
Nature Communications|August 14, 2013
Identification and design principles of low hole effective mass p-type transparent conducting oxidesGeoffroy Hautier, Anna Miglio, Gerbrand Ceder, et al.
Proceedings of the National Academy of Sciences of the United States of America|March 6, 2015
Nucleation of metastable aragonite CaCO3 in seawaterWenhao Sun, Saivenkataraman Jayaraman, Wei Chen, et al.
Physical Review Letters|March 5, 2009
Structures and topological transitions of hydrocarbon films on quasicrystalline surfacesWahyu Setyawan, Renee D Diehl, Stefano Curtarolo
Physical Chemistry Chemical Physics : PCCP|January 31, 2015
Relating voltage and thermal safety in Li-ion battery cathodes: a high-throughput computational studyAnubhav Jain, Geoffroy Hautier, Shyue Ping Ong, et al.
Scientific Data|May 19, 2015
Charting the complete elastic properties of inorganic crystalline compoundsMaarten de Jong, Wei Chen, Thomas Angsten, et al.
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