第一原理計算による高圧分子固体の探究‐「燃える氷」メタンハイドレートの謎に迫る！

Abstract

Methane hydrate, known as Burning Ice, consists of network of hydrogen-bonded water molecules containing methane molecules. It is known as one of the most important materials for solving energy and environment problems as well as for understanding the history of solar planets and satellites. The mysterious properties of methane hydrate are studied using the density functional theory.