Articles with public access mandates - Oliviero AndreussiLearn more
Not available anywhere: 7
Grand canonical simulations of electrochemical interfaces in implicit solvation models
NG Hörmann, O Andreussi, N Marzari
The Journal of chemical physics 150 (4), 2019
Mandates: Swiss National Science Foundation
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
Mandates: Swiss National Science Foundation, European Commission
Continuum models of the electrochemical diffuse layer in electronic-structure calculations
F Nattino, M Truscott, N Marzari, O Andreussi
The Journal of chemical physics 150 (4), 2019
Mandates: Swiss National Science Foundation, European Commission
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
Mandates: European Commission
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, 2015
Mandates: European Commission
Continuum Embedding Models for Electrolyte Solutions in First‐Principles Simulations of Electrochemistry
O Andreussi, F Nattino, N Georg Hörmann
Atomic‐Scale Modelling of Electrochemical Systems, 93-137, 2021
Mandates: Swiss National Science Foundation, European Commission
When water plays an active role in electronic structure. Insights from first-principles molecular dynamics simulations of biological systems
G La Penna, O Andreussi
Computational Methods to Study the Structure and Dynamics of Biomolecules …, 2019
Mandates: Government of Italy
Available somewhere: 22
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
Mandates: US National Science Foundation, US Department of Energy, Swiss National …
Potential-induced nanoclustering of metallic catalysts during electrochemical CO2 reduction
J Huang, N Hörmann, E Oveisi, A Loiudice, GL De Gregorio, O Andreussi, ...
Nature communications 9 (1), 3117, 2018
Mandates: Swiss National Science Foundation, US National Institutes of Health …
An In Situ Surface-Enhanced Infrared Absorption Spectroscopy Study of Electrochemical CO2 Reduction: Selectivity Dependence on Surface C-Bound and O …
Y Katayama, F Nattino, L Giordano, J Hwang, RR Rao, O Andreussi, ...
The Journal of Physical Chemistry C 123 (10), 5951-5963, 2018
Mandates: US National Science Foundation, US Department of Energy, European Commission
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), 2016
Mandates: European Commission
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
Mandates: Government of Italy
Catalytic activity and stability of two-dimensional materials for the hydrogen evolution reaction
N Karmodak, O Andreussi
ACS Energy Letters 5 (3), 885-891, 2020
Mandates: US Department of Energy
Absolute band alignment at semiconductor-water interfaces using explicit and implicit descriptions for liquid water
NG Hörmann, Z Guo, F Ambrosio, O Andreussi, A Pasquarello, N Marzari
npj Computational Materials 5 (1), 100, 2019
Mandates: Swiss National Science Foundation
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
Mandates: Danish Council for Technology and Innovation, European Commission
Solvent-aware interfaces in continuum solvation
O Andreussi, NG Hormann, F Nattino, G Fisicaro, S Goedecker, N Marzari
Journal of chemical theory and computation 15 (3), 1996-2009, 2019
Mandates: Swiss National Science Foundation, European Commission
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
Mandates: Canadian Institutes of Health Research, European Commission, Government of Spain
eQE: An open‐source density functional embedding theory code for the condensed phase
A Genova, D Ceresoli, A Krishtal, O Andreussi, RA DiStasio Jr, ...
International Journal of Quantum Chemistry 117 (16), e25401, 2017
Mandates: US National Science Foundation, US Department of Energy
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
Mandates: Government of Italy
Catalytic activity of Pt 38 in the oxygen reduction reaction from first-principles simulations
L Sementa, O Andreussi, WA Goddard III, A Fortunelli
Catalysis Science & Technology 6 (18), 6901-6909, 2016
Mandates: US Department of Energy
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