Tags: computational materials science


Computational materials science is the application of computational methods alone or in conjunction with experimental techniques to discover new materials and investigate existing materials such as: metals, ceramics, composites, semiconductors, nanostructures, 2D materials, metamaterials, polymers, liquid crystals, surfactants, emulsions, polymer nanocomposites, nanocrystal superlattices and nanoparticles.

All Categories (1-20 of 148)

  1. Jeffrey W Bullard


  2. Data Analysis of Normal Data Sets in Engineering

    24 Jul 2020 | | Contributor(s):: Joseph Joshua Williams, Nancy Ruzycki

    Statistical and data analysis concepts in engineering

  3. Maria Salvacion Esmalla


  4. Kibria Imtiaz Shabbir

    Slow poisoning is worst than fast poisoning by toxic peoples in real life.


  5. Jeff Scully

    I graduated with a my Bachelors in Physics from UMKC, while I may be stepping away from going forward in my degree at the moment I want to stay sharp and be ready when I can start my masters in...


  6. Joseph Joshua Williams

    Joseph J Williams is an undergraduate student studying applied mathematics and materials science and engineering at the University of Florida. He is currently participating in the Network for...


  7. Angelo Giovanni Oñate Soto

    Angelo Oñate Soto is a member of the Department of Mechanical Engineering of the Universidad del Bío Bío. He is a Mechanical Engineer and has a degree in Engineering Sciences from the Universidad...


  8. 3 min. Research Talk: Identifying the Dimensionality of Crystal Structures

    12 Feb 2020 | | Contributor(s):: Franco Vera

    Today, researchers worldwide have identified over 100,000 distinct bulk materials. The underlying dimensionality of these materials is not always clear however, and as such researchers have sought to identify stable, lower dimensional materials derived from the bulk parent structures. A team of...

  9. Nicole Shuman

    Nicole Shuman is a 4th-year undergraduate studying Materials Science and Engineering at the University of California, Davis. She is heavily involved on campus as the Vice President for the...


  10. Citrine Tools for Materials Informatics

    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.

  11. 3 min Research Talk: Hierarchical Material Optimization using Neural Networks

    29 Oct 2019 | | Contributor(s):: Miguel Arcilla Cuaycong

    In this presentation, we sought to use a neural network (NN) to identify optimal arrangements of four different constituents in a tape spring to be used as snapping mechanisms in phase transforming cellular material that can dissipate energy.

  12. Henry Coefficient Simulator

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

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

  13. Gibbs Adsorption Simulator

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

    Simulates the adsorption of gases using Gibbs ensemble

  14. NPT Simulator

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

    Calculate density and total energy of gas molecules using NPT ensemble

  15. Adsorption Energy Calculator

    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

  16. Aug 12 2019

    ICANM2019:7th International Conference & Exhibition on Advanced & Nano Materials

    The 7th International Conference & Exhibition on Advanced & Nano Materials (ICANM2019) will take place from August 12 to 14 in Montreal, Canada. This conference offers the unique...


  17. Mixed Gas Diffusion Calculator

    28 Jun 2019 | | Contributor(s):: Julian C Umeh, Thomas A Manz

    Simulates the diffusion of a gas mixture onto a metal organic framework

  18. Jun 16 2019

    Hands-on workshop: Introduction to using nanoHUB’s free online computational materials simulations for undergraduate education

    A recent survey asked department chairs, faculty, and employers in the Materials Science field to rate the importance of incorporating Computational Materials Science and Engineering (CMSE) into...


  19. Gas Adsorption Calculator

    11 Jun 2019 | | Contributor(s):: Julian C Umeh, Thomas A Manz

    Simulates gas adsorption onto metal organic frameworks

  20. Gas Diffusion Coefficient in Metal Organic Frameworks

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

    Calculates gas self diffusion coefficient in metal organic frameworks