David Brough edited Intro.md  about 9 years ago

Commit id: 6d0f8850ed6abeca13c3114490cd31adfba250f8

deletions | additions      

       

# Introduction  - 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.  - 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.