Find information on common issues.
Ask questions and find answers from other users.
Suggest a new site feature or improvement.
Check on status of your tickets.
Modelling of Phase Transforming Cellular Material (PXCM)
28 Aug 2017 | Online Presentations | Contributor(s): Chidubem Nuela Enebechi, Yunlan Zhang, David Restrepo Arango, Pablo Daniel Zavattieri, Nilesh Mankame
Phase transforming cellular materials (PXCMs) are a new class of materials that can go through large deformation and return to their original configuration. Currently, there are reliable cellular...
Electronic and Thermoelectric Characterization of Materials from Ab Initio Calculations
15 Aug 2017 | Online Presentations | Contributor(s): Gustavo Javier, David M Guzman, Austin Jacob Zadoks, Alejandro Strachan
We present the Optimized Workflow for Electronic and Thermoelectric Properties (OWETP) python notebook, which uses Density Functional Theory (DFT) as implemented in the Quantum Espresso code for...
Structure-Force Field Generator for Molecular Dynamics Simulations
07 Aug 2017 | Online Presentations | Contributor(s): Carlos Miguel Patiño, Lorena Alzate-Vargas, Alejandro Strachan
Atomistic and molecular simulations have become an important research field due to the progress made in computer performance and the necessity of new and improved materials. Despite this, first...
Efficient Exploration of Quantified Uncertainty in Granular Crystals
16 Mar 2016 | Online Presentations | Contributor(s): Juan Camilo Lopez
This work presents a way of quantifying uncertainty in granular crystals in a computationally efficient way. To accomplish this, a low dimensional response surface is approximated through the...
Nanomechanics Simulation Tool: Dislocations Make or Break Materials
16 Mar 2016 | Online Presentations | Contributor(s): Michael N Sakano
The goal of computational material science is to improve existing materials and design new ones through mathematical calculations. In particular, molecular dynamic simulations can allow for...