Tkatchenko, Alexandre Institute of Pure and Applied Mathematics, University of California Los Angeles; Theory, Fritz Haber Institute, Max Planck Society;
e058301.pdf (Publisher version), 734KB
Rupp, M., Tkatchenko, A., Müller, K.-R., & von Lilienfeld, O. A. (2012). Fast and Accurate Modeling of Molecular Atomization Energies with Machine Learning. Physical Review Letters, 108(5): 058301. doi:10.1103/PhysRevLett.108.058301.