Oliviero Andreussi
Oliviero Andreussi
Assistant Professor, Department of Physics, University of North Texas
Email verificata su unt.edu - Home page
TitoloCitata daAnno
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
6922017
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
2402011
Revised self-consistent continuum solvation in electronic-structure calculations
O Andreussi, I Dabo, N Marzari
The Journal of chemical physics 136 (6), 064102, 2012
2032012
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
722004
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
582013
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
472016
Electrostatics of solvated systems in periodic boundary conditions
O Andreussi, N Marzari
Physical Review B 90 (24), 245101, 2014
422014
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
412013
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
312018
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
302017
Transport properties of room-temperature ionic liquids from classical molecular dynamics
O Andreussi, N Marzari
The Journal of chemical physics 137 (4), 044508, 2012
302012
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
272015
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
272013
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
232006
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
222017
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
202016
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
202014
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
202007
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
152015
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
152014
Il sistema al momento non può eseguire l'operazione. Riprova più tardi.
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