Chuck-Hou Yee edited workflow.tex  almost 8 years ago

Commit id: 027d79a7a3567be7b573941bd3f1956b0a8c7217

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system~\cite{Fredeman_2011}, as well as predictions of over 50 new 18-valent  ternary semiconductors~\cite{Gautier_2015}. We argue that   \begin{table}   \begin{tabular}{ c c c }  ElecName & Step & Descirption \\   Eelectronic structure & structure => peroperty & "bread-and butter" of electroic sturcture codes, DFT, DFT+DMFT \\   structure prediction & composition => structure & Evolutionary algorithm, Monte Carlo, minima hopping \\   global stability & chemical system => composition & Materials databases, convex hull \\   \end{tabular}   \caption{Three-step workflow of materials design.}   \end{table}  a) Structure to Property [ compute Gaps, Tc’s etc.]  b) Composition to Structure