Tools (1-20 of 22)

1. Polymer Genetic Algorithm

   Tools | 05 Nov 2021 | Contributor(s):: Joseph D Kern

   Generalized genetic algorithm designed for materials discovery.

2. Materials Graph Network

   Tools | 27 Jan 2021 | Contributor(s):: Chi Chen, Yunxing Zuo

   Materials Graph Networks for molecule and crystal structure-property relationship modeling

3. Machine Learning Force Field for Materials

   Tools | 25 Jan 2021 | Contributor(s):: Chi Chen, Yunxing Zuo

   Machine learning force field for materials

4. Machine Learning Defect Behavior in Semiconductors

   Tools | 10 Nov 2020 | Contributor(s):: Arun Kumar Mannodi Kanakkithodi, Rushik Desai (editor)

   Develop machine learning models to predict defect formation energies in chalcogenides

5. Linear Regression Young's modulus

   Tools | 24 Sep 2020 | Contributor(s):: Michael N Sakano, Saaketh Desai, Alejandro Strachan

   Use linear regression to extract Young's modulus and yield stress from stress-strain data

6. 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.

7. 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

8. 2D material reflectance spectra

   Tools | 10 Jul 2019 | Contributor(s):: Vu Dang Nguyen, Yunsu Park, Darren K Adams (editor), Hayden Taylor

   Simulation of the reflectance spectra of 2D materials and image analysis for thickness identification

9. 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

10. Optimized Workflow for Electronic and Thermoelectric Properties

    0.0 out of 5 stars 

    Tools | 14 Aug 2017 | Contributor(s):: Gustavo Javier, Austin Zadoks, David M Guzman, Alejandro Strachan

    Uses Density Functional Theory (DFT) to extract electronic properties of materials and connects to the nanoHUB tool Landauer Transport Properties (LanTraP) for thermoelectric calculations.

11. MSE educational tool: visualization of stacking faults

    0.0 out of 5 stars 

    Tools | 16 Nov 2017 | Contributor(s):: Peilin Liao

    Visualize stacking faults in FCC and BCC crystals

12. Dynamic Crack Growth under Periodic Excitation Simulator

    0.0 out of 5 stars 

    Tools | 02 Aug 2017 | Contributor(s):: Rachel Katherine Kohler, Nicolò Grilli, Marisol Koslowski

    Simulate 2D crack growth due to sinusoidal loading.

13. ZENO

    0.0 out of 5 stars 

    Tools | 16 Nov 2016 | Contributor(s):: Derek Juba, Debra Audus, Michael Mascagni, Jack Douglas, Walid Keyrouz

    Calculation of hydrodynamic, electrical, and shape properties of polymer and particle suspensions

14. Stacking Fault Energy Demo

    0.0 out of 5 stars 

    Tools | 15 Dec 2016 | Contributor(s):: Martin Hunt

    Demonstration: Stacking Fault Energy Calculation Notebook

15. DFT Material Properties Simulator

    2.5 out of 5 stars 

    Tools | 21 Jul 2015 | Contributor(s):: Gustavo Javier, Usama Kamran, David M Guzman, Alejandro Strachan, Peilin Liao, Robert Joseph Appleton

    Compute electronic and mechanical properties of materials from DFT calculations with 1-Click

16. Thermoelectric Power Generator System Optimization and Cost Analysis

    0.0 out of 5 stars 

    Tools | 26 Sep 2013 | Contributor(s):: Kaz Yazawa, Kevin Margatan, Je-Hyeong Bahk, Ali Shakouri

    Simulate cost and efficiency trade-off of a thermoelectric device as a function of material properties and heat transfer coefficients

17. Thermoelectric Power Factor Calculator for Superlattices

    0.0 out of 5 stars 

    Tools | 18 Oct 2008 | Contributor(s):: Terence Musho, Greg Walker

    Quantum Simulation of the Seebeck Coefficient and Electrical Conductivity in 1D Superlattice Structures using Non-Equilibrium Green's Functions

18. Nano-Plasmonic Bowtie Antenna Simulator

    5.0 out of 5 stars 

    Tools | 18 Mar 2008 | Contributor(s):: Alexander S McLeod, Jeffrey B. Neaton, P. James Schuck, Eugene Song, Graham Chapman

    A tool for simulating the near-field enhancement effects of nano-scale bowtie antennae.

19. Thermoelectric Power Factor Calculator for Nanocrystalline Composites

    0.0 out of 5 stars 

    Tools | 18 Oct 2008 | Contributor(s):: Terence Musho, Greg Walker

    Quantum Simulation of the Seebeck Coefficient and Electrical Conductivity in a 2D Nanocrystalline Composite Structure using Non-Equilibrium Green's Functions

20. ABACUS - Assembly of Basic Applications for Coordinated Understanding of Semiconductors

    5.0 out of 5 stars 

    Tools | 16 Jul 2008 | Contributor(s):: Xufeng Wang, Daniel Mejia, Dragica Vasileska, Gerhard Klimeck

    One-stop-shop for teaching semiconductor devices