Publications of O. Anatole von Lilienfeld
All genres
Journal Article (7)
Journal Article
148 (24), 241706 (2018)
Non-covalent interactions across organic and biological subsets of chemical space: Physics-based potentials parametrized from machine learning. The Journal of Chemical Physics
Journal Article
7 (8), pp. 2549 - 2555 (2011)
Toward Quantitative Structure-Property Relationships for Charge Transfer Rates of Polycyclic Aromatic Hydrocarbons. Journal of Chemical Theory and Computation
Journal Article
127 (6), 064305 (2007)
Tuning electronic eigenvalues of benzene via doping. The Journal of Chemical Physics
Journal Article
124 (5), 054307 (2006)
Coarse-grained interaction potentials for polyaromatic hydrocarbons. The Journal of Chemical Physics
Journal Article
122 (1), 014113 (2005)
Variational optimization of effective atom centered potentials for molecular properties. The Journal of Chemical Physics
Journal Article
71 (19), 195119 (2005)
Performance of optimized atom-centered potentials for weakly bonded systems using density functional theory. Physical Review B
Journal Article
93 (15), 153004 (2004)
Optimization of effective atom centered potentials for London dispersion forces in density functional theory. Physical Review Letters