Applying thermodynamic integration within an ab initio-based free-energy approach is a
state-of-the-art method to calculate melting points of materials. However, the high …

Applying thermodynamic integration within an ab initio-based free-energy approach is a
state-of-the-art method to calculate melting points of materials. However, the high …

Applying thermodynamic integration within an ab initio-based free-energy approach is a
state-of-the-art method to calculate melting points of materials. However, the high …

Theoretical predictions of the melting point T m of materials have a long history. Since 1910
two empirical rules have been available to determine T m, the Lindemann criterion [1] and …

Efficient approach to compute melting properties fully from <i>ab initio</i> with application
to Cu | CiNii Research CiNii 国立情報学研究所 学術情報ナビゲータ[サイニィ] 詳細へ移動 検索 …

Efficient approach to compute melting properties fully from ab initio with application to Cu ::
MPG.PuRe Deutsch Hilfe Datenschutzhinweis Impressum Volltexte einbeziehen …