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

James Kestyn; Eric Polizzi

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arXiv · 2002.06732

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

James Kestyn·Eric Polizzi

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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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James Kestyn, Eric Polizzi. 2020-02-17. From Fundamental First-Principle Calculations to NanoEngineering Applications: Review of the NESSIE project. https://arxiv.org/abs/2002.06732

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