Elastic Constants with DFT
22 Mar 2024 | Contributor(s): Robert Joseph Appleton, Chukwuma Ezenwata, Kat Nykiel, Ching-Chien Chen, Saswat Mishra, Alejandro Strachan
Using quantum espresso to compute the stresses associated with different strain states and fitting the elastic tensor.
Pressure-induced phase transformations database
21 Sep 2023 | Contributor(s): Alejandro Strachan, Ching-Chien Chen, Robert Joseph Appleton, Saswat Mishra
A database and interface allowing people input and query pressure-induced phase transformations of materials.
Microstructure Informed Shock-induced Temperature Network
21 Feb 2023 | Contributor(s): Juan Carlos Verduzco Gastelum, Robert Joseph Appleton, Alejandro Strachan
Cell Relax DFT
10 Nov 2022 | Contributor(s): Robert Joseph Appleton, Saswat Mishra, Kat Nykiel, Jason Wilkening, David Enrique Farache, Victoria Anne Tucker, Ching-Chien Chen, Chukwuma Ezenwata, Piyush Pathak, Alejandro Strachan
Cell relax dft with quantum espresso
DFT Material Properties Simulator
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