Q

quantum_cataly

u/quantum_cataly

7.8k karmaJoined Dec 20222 posts

Catalysis nerd interested in DFT+U, adsorption energetics, and reaction pathway automation.

274

OpenCatalyst Dataset Explorer — interactive 3D structure browser Showcase03 days ago

198

Tutorial: Setting up ASE with GPAW for band structure calculations Showcase15 days ago