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The Journal of Chemical Physics|February 4, 2024
How close are the classical two-body potentials to ab initio calculations? Insights from linear machine learning based force matchingZheng Yu, Ajay Annamareddy, Dane Morgan, et al.Physical Review Letters|July 16, 2022
Understanding the Fragile-to-Strong Transition in Silica from Microscopic DynamicsZheng Yu, Dane Morgan, M D Ediger, et al.Physical Review Letters|October 29, 2013
Amorphization driven by defect-induced mechanical instabilityChao Jiang, Ming-Jie Zheng, Dane Morgan, et al.Nature Materials|July 18, 2006
Predicting crystal structure by merging data mining with quantum mechanicsChristopher C Fischer, Kevin J Tibbetts, Dane Morgan, et al.The Journal of Physical Chemistry Letters|May 10, 2016
Oxygen Point Defect Chemistry in Ruddlesden-Popper Oxides (La1-xSrx)2MO4±δ (M = Co, Ni, Cu)Wei Xie, Yueh-Lin Lee, Yang Shao-Horn, et al.Physical Review Letters|October 4, 2003
Predicting crystal structures with data mining of quantum calculationsStefano Curtarolo, Dane Morgan, Kristin Persson, et al.Acta Crystallographica Section B, Structural Science, Crystal Engineering and Materials|August 25, 2020
The incommensurately modulated structures of low-temperature labradorite feldspars: a single-crystal X-ray and neutron diffraction studyShiyun Jin, Huifang Xu, Xiaoping Wang, et al.Physical Chemistry Chemical Physics : PCCP|August 1, 2015
Ab initio GGA+U study of oxygen evolution and oxygen reduction electrocatalysis on the (001) surfaces of lanthanum transition metal perovskites LaBO₃ (B = Cr, Mn, Fe, Co and Ni)Yueh-Lin Lee, Milind J Gadre, Yang Shao-Horn, et al.The Journal of Chemical Physics|March 16, 2021
Factors correlating to enhanced surface diffusion in metallic glassesAjay Annamareddy, Yuhui Li, Lian Yu, et al.Microscopy and Microanalysis : the Official Journal of Microscopy Society of America, Microbeam Analysis Society, Microscopical Society of Canada|September 25, 2023
Benchmark Tests of Atom Segmentation Deep Learning Models with a Consistent DatasetJingrui Wei, Ben Blaiszik, Aristana Scourtas, et al.Pageof 7