most citedThe phase stability of large-size nanoparticle alloy catalysts at ab initio quality using a nearsighted force-training approach

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physics.comp-ph2023

Version 2.0.0 -- SPARC: Simulation Package for Ab-initio Real-space Calculations

Boqin Zhang, Xin Jing, Qimen Xu +8

SPARC is an accurate, efficient, and scalable real-space electronic structure code for performing ab initio Kohn-Sham density functional theory calculations. Version 2.0.0 of the s…