论文标题
从基本的第一原则计算到纳米工程应用程序：Nessie项目的审查
From Fundamental First-Principle Calculations to NanoEngineering Applications: Review of the NESSIE project
论文作者
论文摘要
本文概述了现代的第一原则计算如何在大规模电子结构模拟中充分满足更高水平的数值准确性和高性能的需求，并在许多新兴纳米材料中对量子多体效应的基本研究进行了研究。
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.
