Solvent effects on the catalytic activity of Pt clusters for the oxygen reduction reaction (ORR) 

L. Sementa, O. Andreussi, W.A. Goddardt and A. Fortunelli,  "Catalytic activity of Pt38 in the oxygen reduction reaction from first-principles simulations", Catalysis Science and Technology. (2016),

Linear-response calculation of optical spectra of solvated systems.

I. Timrov, O. Andreussi, A. Biancardi, N. Marzari and S. Baroni, “Self-consistent continuum solvation for optical absorption of complex molecular systems in solution”, J. Chem. Phys. 142, 034111 (2015) 

Solvent effects on Oxygen Reduction Reaction (ORR) on platinum.

A. Fortunelli, W.A. Goddard, Y. Sha, T.H. Yu, L. Sementa, G. Barcaro and O. Andreussi, “Dramatic Increase in the Oxygen Reduction Reaction for Platinum Cathodes from Tuning the Solvent Dielectric Constant”, Angew. Chem. Int. Ed. 53, 1 (2014),

Removing the artefacts of periodic-boundary conditions in dielectric environments.

O. Andreussi and N. Marzari, “Electrostatics of solvated systems in periodic boundary conditions”, Phys. Rev. B 90, 245101 (2014),

New preconditioned schemes for the generalized Poisson and Poisson-Boltzmann problems

G. Fisicaro, L. Genovese, O. Andreussi, N. Marzari and S. Goedecker, "A generalized Poisson and Poisson-Boltzmann solver for electrostatic environments", J. Chem. Phys. 144, 014103 (2016),

Comparison between implicit and explicit solvent on the catalytic activity of copper surfaces for alkyl growth reactions

M.M. Montemore, O. Andreussi, J.W. Medlin, "Hydrocarbon adsorption in an aqueous environment: A computational study of alkyls on Cu(111)", J. Chem. Phys. 145, 074702 (2016),