Computational scientists and neutron structural biologists from Oak Ridge National Laboratory developed an integrated workflow using small-angle neutron scattering (SANS), atomistic molecular dynamics (MD) simulation, and an autoencoder-based deep learn
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A graph convolutional neural network (GCNN) was trained to accurately predict formation energy and mechanical properties of solid solution alloys crystallized in different lattice structures, thereby advancing the design of alloys for improving mechanic
OAK RIDGE, Tenn., May 2, 2018—The search for a more energy efficient and environmentally friendly method of ammonia production for fertilizer has led to the discovery of a new type of catalytic reaction.