From Fundamental First-Principle Calculations to NanoEngineering Applications: Review of the NESSIE project

2020/02/17 by James Kestyn, Kestyn, James, Eric Polizzi +1 · 1 citation
Physics and Astronomy · #Chemical Physics (physics.chem-ph) #Computational Physics (physics.comp-ph) #FOS: Physical sciences #Materials Science (cond-mat.mtrl-sci) #cond-mat.mtrl-sci #physics.chem-ph #physics.comp-ph

paper · pdf · doi:10.48550/arxiv.2002.06732

arxiv created 2020/02/17 · arxiv updated 2020/02/18

Abstract

This paper outlines how modern first-principle calculations can adequately address the needs for ever higher levels of numerical accuracy and high-performance in large-scale electronic structure simulations, and pioneer the fundamental study of quantum many-body effects in a large number of emerging nanomaterials.

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