3.6k citations · 10.6k across the 54 of their papers we have counts for
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System of Agentic AI for the Discovery of Metal-Organic Frameworks
Theo Jaffrelot Inizan, Sherry Yang, Aaron Kaplan +12
Generative models and machine learning promise accelerated material discovery in MOFs for CO2 capture and water harvesting but face significant challenges navigating vast chemical…
Computational search for materials having a giant anomalous Hall effect in the pyrochlore and spinel crystal structures
Sean Sullivan, Seungjun Lee, Nathan J. Szymanski +4
Ferromagnetic pyrochlore and spinel materials with topological flat bands are of interest for their potential to exhibit a giant anomalous Hall effect (AHE). In this work, we prese…
A practical guide to machine learning interatomic potentials -- Status and future
Ryan Jacobs, Dane Morgan, Siamak Attarian +27
The rapid development and large body of literature on machine learning interatomic potentials (MLIPs) can make it difficult to know how to proceed for researchers who are not exper…