this is for holding javascript data
Gabriel Kotliar edited workflow.tex
over 7 years ago
Commit id: 496909749e021c4e35749d6ddcbf88c09498f391
deletions | additions
diff --git a/workflow.tex b/workflow.tex
index 9f30e12..06d3aa2 100644
--- a/workflow.tex
+++ b/workflow.tex
...
\section{Material Design Workflow}
The search for new materials starts with some intuitive idea of what classes of
materials should be explored,and how certain chemistry enhances desireable solid
state observables.
In areas where there is good theoretical understanding and working computational tools,
this intution can then be supplemented by more quantitative calculations. When this understanding is lacking,
one can appeal to analogies, descriptors and machine learning .[ CITE NORMAN'S REVIEW ? arXiv:1601.00709 ].
Designing a proper strategy, thus requires an understanding of the nature of correlations in a given class
of materials.
The workflow of materials design naturally breaks apart in three steps. The
first, and most well-studied, is electronic structure: given a crystal
structure, compute its electronic properties, such as gap size, magnetic