从基本第一性原理计算到NanoEngineering的应用:NESSIE项目评述
From Fundamental First-Principle Calculations to NanoEngineering Applications: Review of the NESSIE project
摘要:
本文概述了现代第一性原理计算如何能够充分满足大规模电子结构模拟中对更高水平的数值精度和高性能的需求,并开创了大量新兴纳米材料中量子多体效应的基础研究。
英文摘要:
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.
机构、总结、中文摘要均由AI分析而来,可能存在错误,请以论文正文为准。