Release 2024.6.20 contains updates and UX improvements. We highlight (1) an example Jupyter notebook demonstrating the ability to pre-optimize the interfaces using optimizers and calculators from the Atomic Simulation Environment in the web browser; (2) the addition of the fully relativistic set of pseudopotentials from the ONCV collection; (3) the ability to visualize atomic labels as different colors in the materials designer interface to highlight magnetic (anti-ferromagnetic) structures.
Release 2024.6.20 contains updates and UX improvements. We highlight (1) an example Jupyter notebook demonstrating the ability to pre-optimize the interfaces using optimizers and calculators from the Atomic Simulation Environment in the web browser; (2) the addition of the fully relativistic set of pseudopotentials from the ONCV collection; (3) the ability to visualize atomic labels as different colors in the materials designer interface to highlight magnetic (anti-ferromagnetic) structures.
an example Jupyter notebook demonstrating the ability to pre-optimize the interfaces using optimizers and calculators from the Atomic Simulation Environment in the web browser. Below is a quick demonstration
We highlight the addition of the fully relativistic set of pseudopotentials from the ONCV collection. The visual below demonstrates how to select them.
We highlight the ability to visualize atomic labels as different colors in the materials designer interface to highlight magnetic (anti-ferromagnetic) structures.
Try the new functionality online at https://platform.mat3ra.com/