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Oliviero Andreussi
Oliviero Andreussi
Associate Professor, Department of Chemistry and Biochemistry, Boise State University
Подтвержден адрес электронной почты в домене boisestate.edu - Главная страница
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Процитировано
Процитировано
Год
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
81172017
Revised self-consistent continuum solvation in electronic-structure calculations
O Andreussi, I Dabo, N Marzari
The Journal of chemical physics 136 (6), 2012
5372012
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
4652011
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
3672018
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
2282018
Grand canonical simulations of electrochemical interfaces in implicit solvation models
NG Hörmann, O Andreussi, N Marzari
The Journal of chemical physics 150 (4), 2019
1892019
Self-consistent continuum solvation (SCCS): the case of charged systems
C Dupont, O Andreussi, N Marzari
The Journal of Chemical Physics 139 (21), 2013
1232013
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
1222016
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
962004
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
922017
Electrostatics of solvated systems in periodic boundary conditions
O Andreussi, N Marzari
Physical Review B 90 (24), 245101, 2014
912014
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
812019
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
682020
RAD Jr, A. Ferretti, A. Floris, G. Fratesi, G. Fugallo et al
P Giannozzi, O Andreussi, T Brumme, O Bunau, MB Nardelli, M Calandra, ...
J. Phys.: Condens. Matter 29, 465901, 2017
672017
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
642013
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
632017
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
622019
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
612019
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
612015
Continuum embeddings in condensed‐matter simulations
O Andreussi, G Fisicaro
International Journal of Quantum Chemistry 119 (1), e25725, 2019
562019
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