We develop reactive interatomic potentials using machine learning techniques and in particular artificial neural networks.
Materials
For a list of materials please have a look at our list of publications at
http://www.theochem.uni-goettingen.de
Bibliography
J. Behler and M. Parrinello, Phys. Rev. Lett. 98 (2007) 146401. J. Behler, J. Chem. Phys. 134 (2011) 074106.
J. Behler, Phys. Chem. Chem. Phys. 13 (2011) 17930.
J. Behler, J. Phys.: Condensed Matter 26 (2014) 183001.
J. Behler, Int. J. Quantum Chem. 115 (2015) 1032.
See also
http://www.theochem.ruhr-uni-bochum.de/~joerg.behler/Publications-Behler.htm