549 citations · 2.2k across the 23 of their papers we have counts for
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Graph Neural Network Predictions of Metal Organic Framework CO2 Adsorption Properties
Kamal Choudhary, Taner Yildirim, Daniel Siderius +3
The increasing CO2 level is a critical concern and suitable materials are needed to capture such gases from the environment. While experimental and conventional computational metho…
A Semi-Supervised Approach for Automatic Crystal Structure Classification
Satvik Lolla, Haotong Liang, A. Gilad Kusne +2
The structural solution problem can be a daunting and time consuming task. Especially in the presence of impurity phases, current methods such as indexing become more unstable. In…
On-the-fly Autonomous Control of Neutron Diffraction via Physics-Informed Bayesian Active Learning
Austin McDannald, Matthias Frontzek, Andrei T. Savici +8
Neutron scattering is a unique and versatile characterization technique for probing the magnetic structure and dynamics of materials. However, instruments at neutron scattering fac…