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O. Andreussi · SciRah

Researcher profile · Semantic Scholar

O. Andreussi

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O. Andreussi — researcher profile on SciRah

h-index: 26
Works: 70
Citations: 9,673

Most-cited papers

Advanced capabilities for materials modelling with Quantum ESPRESSO
O. Andreussi, T. Brumme, O. Bunǎu, M. Buongiorno Nardelli +46 more
2017Journal of Physics: Condensed Matter6,638 citations Open access
Semantic Scholar
Revised self-consistent continuum solvation in electronic-structure calculations.
O. Andreussi, I. Dabo, N. Marzari
2011Journal of Chemical Physics510 citations Open access
Semantic Scholar
Electrochemical Windows of Room-Temperature Ionic Liquids from Molecular Dynamics and Density Functional Theory Calculations
S. Ong, O. Andreussi, Yabi Wu, N. Marzari +1 more
2011380 citations Open access
Semantic Scholar
Potential-induced nanoclustering of metallic catalysts during electrochemical CO2 reduction
Jian-Feng Huang, N. Hörmann, E. Oveisi, A. Loiudice +4 more
2018Nature Communications337 citations Open access
Semantic Scholar
An In Situ Surface-Enhanced Infrared Absorption Spectroscopy Study of Electrochemical CO2 Reduction: Selectivity Dependence on Surface C-Bound and O-Bound Reaction Intermediates
Y. Katayama, F. Nattino, L. Giordano, Jonathan Hwang +4 more
2018Journal of Physical Chemistry C242 citations Open access
Semantic Scholar
Grand canonical simulations of electrochemical interfaces in implicit solvation models.
N. Hörmann, O. Andreussi, N. Marzari
2019Journal of Chemical Physics188 citations Open access
Semantic Scholar
A generalized Poisson and Poisson-Boltzmann solver for electrostatic environments.
G. Fisicaro, L. Genovese, O. Andreussi, N. Marzari +1 more
2015Journal of Chemical Physics107 citations Open access
Semantic Scholar
Self-consistent continuum solvation (SCCS): the case of charged systems.
C. Dupont, O. Andreussi, N. Marzari
2013Journal of Chemical Physics106 citations Open access
Semantic Scholar
Continuum models of the electrochemical diffuse layer in electronic-structure calculations.
F. Nattino, Matthew Truscott, N. Marzari, O. Andreussi
2018Journal of Chemical Physics82 citations Open access
Semantic Scholar
Soft-Sphere Continuum Solvation in Electronic-Structure Calculations.
G. Fisicaro, L. Genovese, O. Andreussi, Sagarmoy Mandal +3 more
2017Journal of Chemical Theory and Computation79 citations Open access
Semantic Scholar
Electrostatics of solvated systems in periodic boundary conditions
O. Andreussi, N. Marzari
201477 citations Open access
Semantic Scholar
Catalytic Activity and Stability of Two-Dimensional Materials for the Hydrogen Evolution Reaction
Naiwrit Karmodak, O. Andreussi
2020ACS Energy Letters68 citations Open access
Semantic Scholar
Solvent-Aware Interfaces in Continuum Solvation.
O. Andreussi, N. Hörmann, F. Nattino, G. Fisicaro +2 more
2019Journal of Chemical Theory and Computation67 citations Open access
Semantic Scholar
Radiative and nonradiative decay rates of a molecule close to a metal particle of complex shape.
O. Andreussi, S. Corni, B. Mennucci, J. Tomasi
2004Journal of Chemical Physics62 citations
Semantic Scholar
Absolute band alignment at semiconductor-water interfaces using explicit and implicit descriptions for liquid water
N. Hörmann, Zhendong Guo, Francesco Ambrosio, O. Andreussi +2 more
2019npj Computational Materials61 citations Open access
Semantic Scholar
Carotenoids and light-harvesting: from DFT/MRCI to the Tamm-Dancoff approximation.
O. Andreussi, S. Knecht, C. Marian, J. Kongsted +1 more
2015Journal of Chemical Theory and Computation54 citations
Semantic Scholar
Classical Force Fields Tailored for QM Applications: Is It Really a Feasible Strategy?
O. Andreussi, Ingrid G. Prandi, M. Campetella, G. Prampolini +1 more
2017Journal of Chemical Theory and Computation51 citations Open access
Semantic Scholar
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
2013Journal of Physical Chemistry B50 citations
Semantic Scholar
Continuum embeddings in condensed-matter simulations
O. Andreussi, G. Fisicaro
2018International Journal of Quantum Chemistry48 citations Open access
Semantic Scholar
Combining classical molecular dynamics and quantum mechanical methods for the description of electronic excitations: The case of carotenoids
Ingrid G. Prandi, L. Viani, O. Andreussi, B. Mennucci
2016Journal of Computational Chemistry46 citations
Semantic Scholar
eQE: An open‐source density functional embedding theory code for the condensed phase
Alessandro Genova, D. Ceresoli, A. Krishtal, O. Andreussi +2 more
201742 citations Open access
Semantic Scholar
Plasmon-controlled light-harvesting: design rules for biohybrid devices via multiscale modeling.
O. Andreussi, Alessandro Biancardi, S. Corni, B. Mennucci
2013Nano letters (Print)40 citations
Semantic Scholar
Bathochromic Shift in the UV-Visible Absorption Spectra of Phenols at Ice Surfaces: Insights from First-Principles Calculations.
F. Bononi, Zekun Chen, D. Rocca, O. Andreussi +3 more
2020Journal of Physical Chemistry A38 citations Open access
Semantic Scholar
Dramatic increase in the oxygen reduction reaction for platinum cathodes from tuning the solvent dielectric constant.
A. Fortunelli, W. Goddard, Yao-Wu Sha, Ted H. Yu +3 more
2014Angewandte Chemie36 citations
Semantic Scholar
Transport properties of room-temperature ionic liquids from classical molecular dynamics.
O. Andreussi, N. Marzari
2012Journal of Chemical Physics34 citations Open access
Semantic Scholar
Oxygen Evolution and Reduction on Two-Dimensional Transition Metal Dichalcogenides.
Naiwrit Karmodak, Luca Bursi, O. Andreussi
2021Journal of Physical Chemistry Letters29 citations Open access
Semantic Scholar
Photodecay of guaiacol is faster in ice, and even more rapid on ice, than in aqueous solution.
T. Hullar, F. Bononi, Zekun Chen, D. Magadia +6 more
2020Environmental Science: Processes & Impacts26 citations
Semantic Scholar
Self-consistent continuum solvation for optical absorption of complex molecular systems in solution.
Iurii Timrov, O. Andreussi, Alessandro Biancardi, N. Marzari +1 more
2015Journal of Chemical Physics23 citations Open access
Semantic Scholar
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
2006Journal of Physical Chemistry B23 citations
Semantic Scholar
Thermodynamic and kinetic modeling of electrocatalytic reactions using a first-principles approach.
V. M, Shagun Singh, F. Bononi, O. Andreussi +1 more
2023Journal of Chemical Physics20 citations
Semantic Scholar
Hydrocarbon adsorption in an aqueous environment: A computational study of alkyls on Cu(111).
M. Montemore, O. Andreussi, J. Medlin
2016Journal of Chemical Physics20 citations Open access
Semantic Scholar
Oxygen Evolution on MoS2 Edges: Activation through Surface Oxidation
Naiwrit Karmodak, O. Andreussi
202119 citations
Semantic Scholar
Catalytic activity of Pt38 in the oxygen reduction reaction from first-principles simulations
L. Sementa, O. Andreussi, W. Goddard, A. Fortunelli
201617 citations Open access
Semantic Scholar
Plasmon enhanced light harvesting: multiscale modeling of the FMO protein coupled with gold nanoparticles.
O. Andreussi, S. Caprasecca, Lorenzo Cupellini, Ingrid Guarnetti-Prandi +4 more
2015Journal of Physical Chemistry A17 citations
Semantic Scholar
Field-Aware Interfaces in Continuum Solvation.
Matthew Truscott, O. Andreussi
2019Journal of Physical Chemistry B16 citations
Semantic Scholar
FAST TRACK COMMUNICATION: The interplay between surface water and hydrogen bonding in a water adlayer on Pt(111) and Ag(111)
L. Site, L. Ghiringhelli, O. Andreussi, D. Donadio +1 more
200716 citations
Semantic Scholar
Functional extrapolations to tame unbound anions in density-functional theory calculations.
F. Nattino, C. Dupont, N. Marzari, O. Andreussi
2019Journal of Chemical Theory and Computation14 citations Open access
Semantic Scholar
Kinetics and Mechanism of the Hydrogen Peroxide Reduction Reaction on a Graphite Carbon Nitride Sensor
M. I. Rojas, O. Andreussi, Cesar G. Gomez, L. Avalle
20209 citations Open access
Semantic Scholar
Water on Pt(111): the importance of proton disorder
L. Site, L. Ghiringhelli, O. Andreussi, D. Donadio +1 more
20078 citations Open access
Semantic Scholar
Density-Functionalized QM/MM Delivers Chemical Accuracy For Solvated Systems
Xin Chen, Jessica A. Martinez B, Xue-Cheng Shao, Marc Riera Riambau +3 more
2024Journal of Chemical Theory and Computation4 citations Open access
Semantic Scholar
Coding solvation: challenges and opportunities
L. Frediani, O. Andreussi, H. J. Kulik
2018International Journal of Quantum Chemistry4 citations Open access
Semantic Scholar
Catalytic activity of Pt 38 in the oxygen reduction reaction from first-principles simulations
L. Sementa, O. Andreussi, William A. Goddard IIIc, A. Fortunelli
20163 citations
Semantic Scholar
Non-equilibrium dynamics and structure of interfacial ice
O. Andreussi, D. Donadio, M. Parrinello, A. Zewail
20063 citations
Semantic Scholar
Understanding Structure-Composition-Property Relationships of Ni-P Bulk Metallic Glasses
Md Sharif Khan, Nongnuch Artrith, O. Andreussi
2025Journal of Physical Chemistry C2 citations Open access
Semantic Scholar
Critical Composition Window for Co–P Bulk Metallic Glasses Revealed by Machine-Learned Interatomic Potentials
Md Sharif Khan, Bourgeois Biova Irénée Gadjagboui, O. Andreussi
2025Journal of Physical Chemistry C2 citations Open access
Semantic Scholar
Soft‐sphere continuum solvation models for nonaqueous solvents
Pradip Si, Ajay Jayanth, O. Andreussi
2023Journal of Computational Chemistry2 citations
Semantic Scholar
Continuum Embedding Models for Electrolyte Solutions in First‐Principles Simulations of Electrochemistry
O. Andreussi, F. Nattino, Nicolas Georg Hörmann
2021Atomic‐Scale Modelling of Electrochemical Systems2 citations
Semantic Scholar
Automating the Analysis of Substrate Reactivity through Environment Interaction Mapping
T. D. da Silva, Jalen Lu, Zayah Cortright, Denis Mulumba +2 more
2025Journal of Chemical Information and Modeling1 citations
Semantic Scholar
Electrified interfaces from first-principles: continuum electrochemistry and grand canonical density-functional theory
M. Weng, N. Bonnet, O. Andreussi, N. Marzari
2025npj Computational Materials1 citations Open access
Semantic Scholar
Transport properties of RTILs from classical molecular dynamics
O. Andreussi, N. Marzari
20121 citations
Semantic Scholar

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