Kavli Affiliate: Kristin A. Persson | First 5 Authors: Alin Marin Elena, Prathami Divakar Kamath, Théo Jaffrelot Inizan, Andrew S. Rosen, Federica Zanca | Summary: Metal-organic frameworks (MOFs) are highly porous and versatile materials studied extensively for applications such as carbon capture and water harvesting. However, computing phonon-mediated properties in MOFs, like thermal expansion and […]
Continue.. Machine Learned Potential for High-Throughput Phonon Calculations of Metal-Organic Frameworks