Fast and Accurate Modeling of Molecular Atomization Energies with Machine Learning
Rupp, Matthias, Tkatchenko, Alexandre, Müller, Klaus-Robert, von Lilienfeld, O.Volume:
108
Year:
2012
Language:
english
DOI:
10.1103/PhysRevLett.108.058301
File:
PDF, 734 KB
english, 2012