A new method was developed for the discovery of fundamental descriptors for gas adsorption through deep learning neural network (DNN) approach. This approach has great potential to identify structural parameters for gas adsorption.
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Developed a deep-learning approach to automatically create libraries of structural and electronic properties of atomic defects in 2D materials.
Direct experimental evidence of gas-phase methyl radicals in propane oxidative dehydrogenation (ODHP) combined with density functional theory (DFT) calculations uncovers the mechanism behind the exceptional selectivity to olefins over BN catalysts
Two US Department of Energy (DOE) National Laboratories were recently awarded the 2018 Association for Computing Machinery’s (ACM’s) Gordon Bell Prize for work done on the Oak Ridge Leadership Computing Facility’s (OLCF’s) Summit supercomputer, the most
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.
Researchers at the US Department of Energy’s Oak Ridge National Laboratory broke the exascale barrier, achieving a peak throughput of 1.88 exaops—faster than any previously reported science application—while analyzing genomic data on the recently launch
A cross-disciplinary research team at Oak Ridge National Laboratory is using supercomputing to create an unprecedented view of the 3D interactions among components of the cellular machinery in Populus trichocarpa (black cottonwood)