Publications of Anthony Reilly

Zhang, G.-X.; Reilly, A.; Tkatchenko, A.; Scheffler, M.: Performance of various density-functional approximations for cohesive properties of 64 bulk solids. New Journal of Physics 20 (6), 063020 (2018)

Reilly, A.; Tkatchenko, A.: van der Waals dispersion interactions in molecular materials: beyond pairwise additivity. Chemical Science (6), pp. 3289 - 3301 (2015)

Reilly, A.; Tkatchenko, A.: Role of Dispersion Interactions in the Polymorphism and Entropic Stabilization of the Aspirin Crystal. Physical Review Letters 113 (5), 055701 (2014)

Ambrosetti, A.; Reilly, A.; DiStasio, R. A.; Tkatchenko, A.: Long-range correlation energy calculated from coupled atomic response functions. The Journal of Chemical Physics 140 (18), 18A508 (2014)

Reilly, A.; Tkatchenko, A.: Understanding the role of vibrations, exact exchange, and many-body van der Waals interactions in the cohesive properties of molecular crystals. The Journal of Chemical Physics 139 (2), 024705 (2013)

Marom, N.; DiStasio, R. A.; Atalla, V.; Levchenko, S. V.; Reilly, A.; Chelikowsky, J. R.; Leiserowitz, L.; Tkatchenko, A.: Many-Body Dispersion Interactions in Molecular Crystal Polymorphism. Angewandte Chemie International Edition 52 (26), pp. 6629 - 6632 (2013)

Marom, N.; DiStasio, R. A.; Atalla, V.; Levchenko, S. V.; Reilly, A.; Chelikowsky, J. R.; Leiserowitz, L.; Tkatchenko, A.: Many-Body Dispersion Interactions in Molecular Crystal Polymorphism. Angewandte Chemie 125 (26), pp. 6761 - 6764 (2013)

Reilly, A.; Tkatchenko, A.: Seamless and Accurate Modeling of Organic Molecular Materials. The Journal of Physical Chemistry Letters 4 (6), pp. 1028 - 1033 (2013)

Schatschneider, B.; Liang, J.-J.; Reilly, A.; Marom, N.; Zhang, G.-X.; Tkatchenko, A.: Electrodynamic response and stability of molecular crystals. Physical Review B 87 (6), 060104 (2013)

Reilly, A.; Briesen, H.: Erratum: "Modeling crystal growth from solution with molecular dynamics simulations: Approaches to transition rate constants" [J. Chem. Phys. 136, 034704 (2012)]. The Journal of Chemical Physics 137, 059901 (2012)