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Physical Chemistry Chemical Physics : PCCP|May 17, 2022
Spectroscopic signatures of nonpolarons: the case of diamondJoao C de Abreu, Jean Paul Nery, Matteo Giantomassi, et al.ACS Applied Materials & Interfaces|March 17, 2023
Electronic Properties of Functionalized Diamanes for Field-Emission DisplaysChristian Tantardini, Alexander G Kvashnin, Maryam Azizi, et al.Acta Crystallographica Section B, Structural Science, Crystal Engineering and Materials|August 25, 2020
ChemEnv: a fast and robust coordination environment identification toolDavid Waroquiers, Janine George, Matthew Horton, et al.ACS Nano|July 17, 2025
SbIV, an Unusual Player in 2D Spintronic DevicesChristian Tantardini, Maryam Azizi, Tariq Altalhi, et al.Physical Review Letters|October 9, 2020
Electron-Phonon beyond Fröhlich: Dynamical Quadrupoles in Polar and Covalent SolidsGuillaume Brunin, Henrique Pereira Coutada Miranda, Matteo Giantomassi, et al.Scientific Data|May 2, 2018
High-throughput density-functional perturbation theory phonons for inorganic materialsGuido Petretto, Shyam Dwaraknath, Henrique P C Miranda, et al.Advanced Materials (Deerfield Beach, Fla.)|April 22, 2022
Sr-Doped Superionic Hydrogen Glass: Synthesis and Properties of SrH22Dmitrii V Semenok, Wuhao Chen, Xiaoli Huang, et al.Scientific Reports|June 30, 2018
Kinked silicon nanowires-enabled interweaving electrode configuration for lithium-ion batteriesGeorgiana Sandu, Michael Coulombier, Vishank Kumar, et al.Journal of Chemical Theory and Computation|August 18, 2016
When Density Functional Approximations Meet Iron OxidesYu Meng, Xing-Wu Liu, Chun-Fang Huo, et al.The Journal of Chemical Physics|April 4, 2020
ABINIT: Overview and focus on selected capabilitiesAldo H Romero, Douglas C Allan, Bernard Amadon, et al.Pageof 3