id author title date pages extension mime words sentence flesch summary cache txt g732d794p27 Kun Yao Neural Network Model Chemistries 1904 .txt text/plain 199 8 30 Several dierent approaches of applying neural networks have been tried in this thesis, such as constructing neural network based kinetic energy functional, combining neural networks with the many-body expansion, defining bond energies and developing a neural network based molecular simulation package TensorMol. Each approach has addressed certain aspects of the problem of building neural network model chemistries. cache/g732d794p27.txt txt/g732d794p27.txt