CSE 8803 / ME 8883 - Materials Informatics Course - Fall 2016

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20 Aug 2016

High-dimensional PES metamodel via DFT - Front Page

CSE8803 / ME 8883 Materials Informatics

Fall 2016 Georgia Tech

Anh Tran and Zhiyu Wang

This serves as the front page of our project: High-dimensional PES metamodel via DFT. In this project, we use kriging as a metamodel approach to high-dimensional potential energy surface, and probably will encompass Big Data in DFT calculations as well.

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