[Research Highlights Vol.21] Supercomputing in materials science: First-principles simulations of large molecules

雑誌

コレクション

Research Highlights

著者

International Center for Materials Nanoarchitectonics (WPI-MANA)

キーワード

Density Functional Theory, First-principles calculations, Molecular Dynamics Simulations, Linear-scaling method or O(N) method, Computational Materials Science

刊行年月日

2015-03-27

更新時刻

2023-12-25 00:30:18 +0900