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Complex computing-networks brain-like and wave-oriented electrodynamic algorithms /
“... scenarios: a survey - Numerical modeling and simulation studies of 2D propagation over non-flat terrain...”
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GroPBS: Fast Solver for Implicit Electrostatics of Biomolecules
“... come at a high computational cost, rendering them unsuitable for large design studies or for docking...”
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Machine learning scheme for fast extraction of chemically interpretable interatomic potentials
Por Pavel E. Dolgirev, Ivan A. Kruglov, Artem R. Oganov
Publicado em 2016-08-01
“...We present a new method for a fast, unbiased and accurate representation of interatomic...”
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A big data approach to the ultra-fast prediction of DFT-calculated bond energies
“.... Once trained, these ML models can be applied to new structures to produce ultra-fast predictions...”
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