Tools (1-20 of 22)

1. 2D material reflectance spectra

   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

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

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

   One-stop-shop for teaching semiconductor devices

3. Chemical Autoencoder for Latent Space Enrichment

   10 Jun 2019 | | Contributor(s):: Bryan Arciniega, Mackinzie S Farnell, Nicolae C Iovanac, Brett Matthew Savoie

   Chemical Autencoder uses machine learning for property prediction

4. DFT Material Properties Simulator

   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

5. Dynamic Crack Growth under Periodic Excitation Simulator

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

   Simulate 2D crack growth due to sinusoidal loading.

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

   22 Nov 2019 | | Contributor(s):: Adrian Nat Gentry, Peilin Liao

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

7. Linear Regression Young's modulus

   16 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

8. Machine Learning Defect Behavior in Semiconductors

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

   Develop machine learning models to predict defect formation energies in chalcogenides

9. Machine Learning Force Field for Materials

   27 Oct 2020 | | Contributor(s):: Chi Chen, Yunxing Zuo

   Machine learning force field for materials

10. Materials Graph Network

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

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

11. Melting point simulation using OpenKIM

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

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

12. MSE educational tool: visualization of stacking faults

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

    Visualize stacking faults in FCC and BCC crystals

13. Nano-Plasmonic Bowtie Antenna Simulator

    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.

14. Optimized Workflow for Electronic and Thermoelectric Properties

    out of 5 stars 

    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.

15. PhotonicsDB: Optical Constants

    out of 5 stars 

    14 Dec 2007 | | Contributor(s):: Xingjie Ni, Zhengtong Liu, Alexander V. Kildishev

    Experimental data is used to interpolate the dielectric function or the index of refraction of bulk materials used in optics and photonics

16. Polymer Genetic Algorithm

    out of 5 stars 

    14 Oct 2021 | | Contributor(s):: Joseph D Kern

    Generalized genetic algorithm designed for materials discovery.

17. Quantum Dot Lab

    out of 5 stars 

    12 Nov 2005 | | Contributor(s):: Prasad Sarangapani, James Fonseca, Daniel F Mejia, James Charles, Woody Gilbertson, Tarek Ahmed Ameen, Hesameddin Ilatikhameneh, Andrew Roché, Lars Bjaalie, Sebastian Steiger, David Ebert, Matteo Mannino, Hong-Hyun Park, Tillmann Christoph Kubis, Michael Povolotskyi, Michael McLennan, Gerhard Klimeck

    Compute the eigenstates of a particle in a box of various shapes including domes, pyramids and multilayer structures.

18. Stacking Fault Energy Demo

    out of 5 stars 

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

    Demonstration: Stacking Fault Energy Calculation Notebook

19. Thermoelectric Power Factor Calculator for Nanocrystalline Composites

    out of 5 stars 

    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. Thermoelectric Power Factor Calculator for Superlattices

    out of 5 stars 

    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