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Advanced Science (Weinheim, Baden-Wurttemberg, Germany)|September 22, 2017
Local Bonding Influence on the Band Edge and Band Gap Formation in Quaternary ChalcopyritesAnna Miglio, Christophe P Heinrich, Wolfgang Tremel, et al.Nature Communications|May 19, 2023
A map of single-phase high-entropy alloysWei Chen, Antoine Hilhorst, Georgios Bokas, et al.Research (Washington, D.C.)|April 15, 2020
The Thermoelectric Properties of n-Type Bismuth Telluride: Bismuth Selenide Alloys Bi2Te3- SeIan T Witting, Francesco Ricci, Thomas C Chasapis, et al.Journal of the American Chemical Society|October 28, 2024
Computationally Driven Discovery of T Center-like Quantum Defects in SiliconYihuang Xiong, Jiongzhi Zheng, Shay McBride, et al.Journal of Computational Chemistry|June 13, 2020
LOBSTER: Local orbital projections, atomic charges, and chemical-bonding analysis from projector-augmented-wave-based density-functional theoryRyky Nelson, Christina Ertural, Janine George, et al.Angewandte Chemie (International Ed. in English)|February 18, 2020
The Limited Predictive Power of the Pauling RulesJanine George, David Waroquiers, Davide Di Stefano, et al.Scientific Data|July 11, 2024
Second-harmonic generation tensors from high-throughput density-functional perturbation theoryVictor Trinquet, Francesco Naccarato, Guillaume Brunin, et al.Chemistry of Materials : a Publication of the American Chemical Society|November 29, 2023
Limits to Hole Mobility and Doping in Copper IodideJoe Willis, Romain Claes, Qi Zhou, et al.Scientific Data|July 5, 2017
An ab initio electronic transport database for inorganic materialsFrancesco Ricci, Wei Chen, Umut Aydemir, et al.Npj Computational Materials|October 27, 2025
Ineffectiveness of formamidine in suppressing ultralow thermal conductivity in cubic hybrid perovskite FAPbI3Jiongzhi Zheng, Zheng Chang, Changpeng Lin, et al.Pageof 6