MRS Computational Materials Science Tutorial
Tools | 04 May 2022 | Contributor(s): Panayotis Thalis Manganaris, Saaketh Desai, Arun Kumar Mannodi Kanakkithodi
Hands-on guide to the development of statistical models useful for materials design using python, sklearn, tensorflow, and intel extensions.
Parsimonious Neural Networks Learn Interpretable Physical Laws
Online Presentations | 21 Jun 2021 | Contributor(s): Saaketh Desai
Machine learning methods are widely used as surrogate models in the physical sciences, but less explored is the use of machine learning to discover interpretable laws from data. This tutorial introduces parsimonious neural networks (PNNs), a combination of neural networks and evolutionary...
Active Learning Workflow for MPCAs
Tools | 05 Oct 2021 | Contributor(s): Juan Carlos Verduzco Gastelum, David Enrique Farache, Zachary D McClure, Saaketh Desai, Alejandro Strachan
Active learning workflow for MPCAs using MD simulation tool MeltHEAS for optimized melting temperatures
PNJunction Lab Exploration Tool
Tools | 06 Oct 2020 | Contributor(s): Daniel Mejia, Alejandro Strachan, Saaketh Desai
DFT Results Explorer
Tools | 17 Feb 2021 | Contributor(s): Saaketh Desai, Juan Carlos Verduzco Gastelum, Daniel Mejia, Alejandro Strachan
Use visualization tools to explore correlations in a DFT simulation results database
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