Tags: materials science

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Description

Materials science is the understanding and application of properties of matter. Materials science studies the connections between the structure of a material, its properties, methods of processing and performance for given applications.

Please see the nanoHUB Group Materials Science for highlighted materials science related items.

For educators please see the nanoHUB group MSE Instructional Exchange

For the latest tools that combine materials science with machine learning and data science see the nanoHUB group Data Science and Machine Learning

Tools (21-40 of 118)

  1. Hands-on Deep Learning for Materials

    Tools | 10 Jun 2020 | Contributor(s):: Saaketh Desai, Edward Kim, Vinay Hegde

    This tool introduces users to deep learning techniques such as convolutional neural networks and variational auto encoders from a materials standpoint

  2. Test Tool for Neural Network Reactive Force Field for CHNO systems

    Tools | 14 May 2020 | Contributor(s):: Pilsun Yoo, Saaketh Desai, Michael N Sakano, Peilin Liao, Alejandro Strachan

    Run molecular dynamics and Do testing using the neural network reactive force field for HE materials

  3. Unsupervised learning using dimensionality reduction via matrix decomposition

    Tools | 14 Apr 2020 | Contributor(s):: Michael N Sakano, Alejandro Strachan

    Learn PCA and NMF via chemistry example

  4. High Entropy Alloy Melting Point Calculation

    Tools | 05 Mar 2020 | Contributor(s):: Zachary D McClure, Saaketh Desai, Alejandro Strachan

    Calculate melting point of high entropy alloys through phase coexistence method

  5. Introduction to Machine Learning in MSE: Predicting Bulk Modulus

    Tools | 29 Jan 2020 | Contributor(s):: Adrian Nat Gentry, Peilin Liao

    In this module, you will learn how to predict bulk modulus using machine learning.

  6. Citrine Tools for Materials Informatics

    Tools | 05 Dec 2019 | Contributor(s):: Juan Carlos Verduzco Gastelum, Alejandro Strachan

    Jupyter notebooks for sequential learning in the context of materials design. Run your own models, explore various methods and adapt the notebooks to your needs.

  7. Hierarchical material optimization

    Tools | 28 Oct 2019 | Contributor(s):: Miguel Arcilla Cuaycong

    Assembles all possible configurations of a structural level in a Hierarchical Material.

  8. Henry Coefficient Simulator

    Tools | 23 Oct 2019 | Contributor(s):: Julian C Umeh, Thomas A Manz

    Calculate Henry's constant of several sites on a nanoporous material

  9. Chemical Autoencoder for Latent Space Enrichment

    Tools | 19 Sep 2019 | Contributor(s):: Bryan Arciniega, Mackinzie S Farnell, Nicolae C Iovanac, Brett Matthew Savoie

    Chemical Autencoder uses machine learning for property prediction

  10. Adsorption Energy Calculator

    Tools | 23 Aug 2019 | Contributor(s):: Julian C Umeh, Thomas A Manz

    Calculate the total energy of adsorbates as they move around a metal organic framework

  11. Crystal Viewer Lab (New Interactive Front End)

    Tools | 16 Aug 2019 | Contributor(s):: Daniel F Mejia, Gerhard Klimeck, Yuanchen Chu

    Visualize and interact with various Crystalline Materials and all Bravais Lattices

  12. Void Fraction Calculator

    Tools | 25 Jul 2019 | Contributor(s):: Julian C Umeh, Thomas A Manz

    Calculates the void fraction (pore volume) of nano-porous materials

  13. PRISMS-PF: Equilibrium Shape for a Misfitting Precipitate

    Tools | 10 Jun 2019 | Contributor(s):: Stephen DeWitt, Nicole Shuman, Susan P Gentry

    Use the phase field method to determine the equilibrium shape of precipitate with misfit strain relative to the matrix.

  14. Gas Diffusion Coefficient in Metal Organic Frameworks

    Tools | 28 May 2019 | Contributor(s):: Julian Chinonso Umeh, Thomas A Manz

    Calculates gas self diffusion coefficient in metal organic frameworks

  15. DataExplorer Lab

    Tools | 23 May 2019 | Contributor(s):: Daniel F Mejia

    DataExplorerLab is a python Tool that allows exploration of datasets using visualizations, this is based on Floatview library

  16. Melting point simulation using OpenKIM

    Tools | 22 Mar 2019 | Contributor(s):: Martin Hunt, Alejandro Strachan, Saaketh Desai

    Computes melting point using a coexistence technique using interatomic potentials from OpenKIM

  17. Solidification Simulation of Pure Metal in Semi-Infinite Mold

    Tools | 12 Feb 2019 | Contributor(s):: Michael S Titus, Justin Cooper, Dongsheng Wen

    Simulate the solidification of various pure metals in various mold materials. Adjust mold and metal properties.

  18. Machine Learning for Materials Science: Part 1

    Tools | 09 Feb 2019 | Contributor(s):: Juan Carlos Verduzco Gastelum, Alejandro Strachan, Saaketh Desai

    Machine learning and data science tools applied to materials science

  19. DFT-LDA Helium

    Tools | 06 Dec 2018 | Contributor(s):: Dongsheng Wen, Alejandro Strachan

    Calculate ground state energy of Helium atom with DFT.

  20. TensorFlow Tutorials

    Tools | 03 Dec 2018 | Contributor(s):: Juan Carlos Verduzco Gastelum, Saaketh Desai, Alejandro Strachan

    Ready-to-run Jupyter notebooks for machine learning using Tensorflow and Keras