Neural network approach to quantum-chemistry data: Accurate prediction of density functional theory energies
Neural network approach to quantum-chemistry data: Accurate prediction of density functional theory energies
Neural network approach to quantum-chemistry data: Accurate prediction of density functional theory energies
FREE-DOWNLOADRM Balabin… – The Journal of chemical physics, 2009 Artificial neural network (ANN) approach has been applied to estimate the density functional theory (DFT) energy with large basis set using lower-level energy values and molecular descriptors. A total of 208 different molecules were used for the ANN training, cross
Artificial Neural Network Modelling for the Study of pH on the Fungal Treatment of Red mud
Artificial Neural Network Modelling for the Study of pH on the Fungal Treatment of Red mud