| Advanced capabilities for materials modelling with Quantum ESPRESSO P Giannozzi, O Andreussi, T Brumme, O Bunau, MB Nardelli, M Calandra, ... Journal of Physics: Condensed Matter 29 (46), 465901, 2017 | 692 | 2017 |
| Electrochemical windows of room-temperature ionic liquids from molecular dynamics and density functional theory calculations SP Ong, O Andreussi, Y Wu, N Marzari, G Ceder Chemistry of Materials 23 (11), 2979-2986, 2011 | 240 | 2011 |
| Revised self-consistent continuum solvation in electronic-structure calculations O Andreussi, I Dabo, N Marzari The Journal of chemical physics 136 (6), 064102, 2012 | 203 | 2012 |
| Radiative and nonradiative decay rates of a molecule close to a metal particle of complex shape O Andreussi, S Corni, B Mennucci, J Tomasi The Journal of chemical physics 121 (20), 10190-10202, 2004 | 72 | 2004 |
| Self-consistent continuum solvation (SCCS): The case of charged systems C Dupont, O Andreussi, N Marzari The Journal of chemical physics 139 (21), 214110, 2013 | 58 | 2013 |
| A generalized Poisson and Poisson-Boltzmann solver for electrostatic environments G Fisicaro, L Genovese, O Andreussi, N Marzari, S Goedecker The Journal of chemical physics 144 (1), 014103, 2016 | 47 | 2016 |
| Electrostatics of solvated systems in periodic boundary conditions O Andreussi, N Marzari Physical Review B 90 (24), 245101, 2014 | 42 | 2014 |
| Identifying, by first-principles simulations, Cu [amyloid-β] species making fenton-type reactions in Alzheimer’s disease G La Penna, C Hureau, O Andreussi, P Faller The journal of physical chemistry B 117 (51), 16455-16467, 2013 | 41 | 2013 |
| Potential-induced nanoclustering of metallic catalysts during electrochemical CO 2 reduction J Huang, N Hörmann, E Oveisi, A Loiudice, GL De Gregorio, O Andreussi, ... Nature communications 9 (1), 3117, 2018 | 31 | 2018 |
| Soft-sphere continuum solvation in electronic-structure calculations G Fisicaro, L Genovese, O Andreussi, S Mandal, NN Nair, N Marzari, ... Journal of chemical theory and computation 13 (8), 3829-3845, 2017 | 30 | 2017 |
| Transport properties of room-temperature ionic liquids from classical molecular dynamics O Andreussi, N Marzari The Journal of chemical physics 137 (4), 044508, 2012 | 30 | 2012 |
| Carotenoids and light-harvesting: From DFT/MRCI to the tamm–dancoff approximation O Andreussi, S Knecht, CM Marian, J Kongsted, B Mennucci Journal of chemical theory and computation 11 (2), 655-666, 2015 | 27 | 2015 |
| Plasmon-controlled light-harvesting: Design rules for biohybrid devices via multiscale modeling O Andreussi, A Biancardi, S Corni, B Mennucci Nano letters 13 (9), 4475-4484, 2013 | 27 | 2013 |
| Semiempirical (ZINDO-PCM) approach to predict the radiative and nonradiative decay rates of a molecule close to metal particles M Caricato, O Andreussi, S Corni The Journal of Physical Chemistry B 110 (33), 16652-16659, 2006 | 23 | 2006 |
| Classical force fields tailored for QM applications: is it really a feasible strategy? O Andreussi, IG Prandi, M Campetella, G Prampolini, B Mennucci Journal of chemical theory and computation 13 (10), 4636-4648, 2017 | 22 | 2017 |
| Combining classical molecular dynamics and quantum mechanical methods for the description of electronic excitations: The case of carotenoids IG Prandi, L Viani, O Andreussi, B Mennucci Journal of computational chemistry 37 (11), 981-991, 2016 | 20 | 2016 |
| Dramatic increase in the oxygen reduction reaction for platinum cathodes from tuning the solvent dielectric constant A Fortunelli, WA Goddard, Y Sha, TH Yu, L Sementa, G Barcaro, ... Angewandte Chemie International Edition 53 (26), 6669-6672, 2014 | 20 | 2014 |
| The interplay between surface–water and hydrogen bonding in a water adlayer on Pt (111) and Ag (111) L Delle Site, LM Ghiringhelli, O Andreussi, D Donadio, M Parrinello Journal of Physics: Condensed Matter 19 (24), 242101, 2007 | 20 | 2007 |
| Self-consistent continuum solvation for optical absorption of complex molecular systems in solution I Timrov, O Andreussi, A Biancardi, N Marzari, S Baroni The Journal of chemical physics 142 (3), 034111, 2015 | 15 | 2015 |
| Plasmon Enhanced Light Harvesting: Multiscale Modeling of the FMO Protein Coupled with Gold Nanoparticles O Andreussi, S Caprasecca, L Cupellini, I Guarnetti-Prandi, CA Guido, ... The Journal of Physical Chemistry A 119 (21), 5197-5206, 2014 | 15 | 2014 |
Nicola MarzariChair of Theory and Simulation of Materials, École Polytechnique Fédérale de Lausanne (EPFL)Email verificata su epfl.ch