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David Brough edited Intro.md
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# Introduction
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Current practices for developing Materials
and Processing Design Data Analytics Tool-Sets are
extremely high dimensional optimization problems highly localized within a few individual groups resulting in major inefficiency (unnecessary duplication of codes, inadequate verification and validation of multiple instantiations of code, not engaging the right talent for the right task, etc.)
-
Traditional methods used to explore Community development and sharing of code repositories has been successful in certain science communities. Advantages of this
space are too expensive approach include increased e-teaming and e-collaborations, vastly improved code hygiene, promotion of open science, rapid verification and validation, and a dramatic increase in overall productivity.
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Low Dimension meta models are needed. Community development of a materials data analytics tool-set can significantly change the landscape of the emerging cross-disciplinary field of Materials Informatics and address the critical needs outlined in MGI and ICME. This is probably the only practical way to get materials scientists and computer scientists to establish meaningful, mutually beneficial, and highly productive collaborations. Current efforts in materials science are:
- PyMatgen http://pymatgen.org/
- Other
packages projects http://materials-informatics-lab.github.io/material-hammers/
- PyMKS aims to seed and nurture an emergent user group in the materials
informatics field. Especially those data analytics for establishing homogenization and localization linkages by leveraging open source scientific and machine learning packages in Python.
- The
Materials Knowledge Systems provides methods approach used to
create meta-models for Homogenization and localization.
- develop PyMKS
provides high level access as well as several examples are presented. This paper is a call to
this framework others interested in participating in
Python this open science activity.