Kinetic Energy of Hydrocarbons as a Function of Electron Density and Convolutional Neural Networks

scientific article published on 26 January 2016

Kinetic Energy of Hydrocarbons as a Function of Electron Density and Convolutional Neural Networks is …
instance of (P31):
scholarly articleQ13442814

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P818arXiv ID1509.00062
P356DOI10.1021/ACS.JCTC.5B01011
P698PubMed publication ID26812530
P5875ResearchGate publication ID281487934

P50authorKun YaoQ61826440
P2093author name stringJohn Parkhill
P433issue3
P921main subjectconvolutional neural networkQ17084460
P304page(s)1139-1147
P577publication date2016-01-26
P1433published inJournal of Chemical Theory and ComputationQ1768377
P1476titleKinetic Energy of Hydrocarbons as a Function of Electron Density and Convolutional Neural Networks
P478volume12

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cites work (P2860)
Q92313646Application of Computational Biology and Artificial Intelligence Technologies in Cancer Precision Drug Discovery
Q42261808Bypassing the Kohn-Sham equations with machine learning
Q62496471Deep Learning for Drug Design: an Artificial Intelligence Paradigm for Drug Discovery in the Big Data Era
Q41907039Discovering charge density functionals and structure-property relationships with PROPhet: A general framework for coupling machine learning and first-principles methods
Q91594303Energy refinement and analysis of structures in the QM9 database via a highly accurate quantum chemical method
Q64069447Extensive deep neural networks for transferring small scale learning to large scale systems
Q58612390Generation of Bose-Einstein Condensates' Ground State Through Machine Learning
Q62741716Predicting electronic structure properties of transition metal complexes with neural networks
Q100385791Retrospective on a decade of machine learning for chemical discovery
Q48354890Self-consistent assessment of Englert-Schwinger model on atomic properties
Q91845279Support Vector Regression-Based Monte Carlo Simulation of Flexible Water Clusters
Q55411474The TensorMol-0.1 model chemistry: a neural network augmented with long-range physics.
Q48876768The many-body expansion combined with neural networks.

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