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Author

Simone Casolo

Observed names: CASOLO, SIMONE, Casolo, Simone, S. Casolo
ORCID: 0000-0003-2945-8931
Observed ORCID: 0000-0003-2945-8931
OpenAlex ID: A5027863128
Atomic-scale characterization of nitrogen-doped graphite: Effects of dopant nitrogen on the local electronic structure of the surrounding carbon atoms
2012 · Takahiro Kondo, Simone Casolo, et al. · Physical Review B · 311
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Understanding adsorption of hydrogen atoms on graphene
2013 · Simone Casolo, Ole Martin Løvvik, et al. · 266
Symmetry-induced band-gap opening in graphene superlattices
2010 · Rocco Martinazzo, Simone Casolo, et al. · Physical Review B · 104
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Band Engineering in Graphene with Superlattices of Substitutional Defects
2011 · S. Casolo, R. Martinazzo, et al. · The Journal of Physical Chemistry C · 90
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Density functional theory based screening of ternary alkali-transition metal borohydrides: A computational material design project
2009 · J. S. Hummelshøj, D. D. Landis, et al. · The Journal of Chemical Physics · 87
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Inherently Chiral Macrocyclic Oligothiophenes: Easily Accessible Electrosensitive Cavities with Outstanding Enantioselection Performances
2014 · Francesco Sannicolò, Patrizia R. Mussini, et al. · Chemistry - A European Journal · 67
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A few simple rules governing hydrogenation of graphene dots
2011 · M. Bonfanti, S. Casolo, et al. · The Journal of Chemical Physics · 40
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Surface Temperature Effects on Dissociative Chemisorption of H 2 on Cu(100)
2013 · Ali Marashdeh, Simone Casolo, et al. · The Journal of Physical Chemistry C · 39
Structure and stability of hydrogenated carbon atom vacancies in graphene
2014 · Marina Casartelli, Simone Casolo, et al. · Carbon · 38
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Spin coupling around a carbon atom vacancy in graphene
2013 · M. Casartelli, S. Casolo, et al. · Physical Review B · 38
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Insights into H 2 formation in space from ab initio molecular dynamics
2013 · Simone Casolo, Gian Franco Tantardini, et al. · Proceedings of the National Academy of Sciences · 35
Oxygen Nonstoichiometry in (Ca2CoO3)0.62(CoO2): A Combined Experimental and Computational Study
2014 · Matthias Schrade, Simone Casolo, et al. · The Journal of Physical Chemistry C · 30
Quantum Dynamics of the Eley−Rideal Hydrogen Formation Reaction on Graphite at Typical Interstellar Cloud Conditions
2009 · Simone Casolo, Rocco Martinazzo, et al. · The Journal of Physical Chemistry A · 30
Inherently Chiral Spider‐Like Oligothiophenes
2016 · Francesco Sannicolò, Patrizia R. Mussini, et al. · Chemistry - A European Journal · 26
Surface models and reaction barrier in Eley–Rideal formation of H2 on graphitic surfaces
2011 · Matteo Bonfanti, Simone Casolo, et al. · Physical Chemistry Chemical Physics · 25
Role of the self-interaction error in studying chemisorption on graphene from first-principles
2010 · Simone Casolo, Espen Flage-Larsen, et al. · Physical Review B · 24
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Theoretical analysis of oxygen vacancies in layered sodium cobaltate, NaxCoO2−δ
2012 · Simone Casolo, Ole Martin Løvvik, et al. · Journal of Physics Condensed Matter · 19
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Cloud-based virtual flow metering system powered by a hybrid physics-data approach for water production monitoring in an offshore gas field
2023 · Rafael H. Nemoto, Roberto Ibarra, et al. · Digital Chemical Engineering · 15
Hydrogen Recombination and Dimer Formation on Graphite from Ab Initio Molecular Dynamics Simulations
2016 · S. Casolo, G. F. Tantardini, et al. · The Journal of Physical Chemistry A · 12
The Effect of Atomic-Scale Defects and Dopants on Graphene Electronic Structure
2011 · Rocco Martinazzo, Simone Casolo, et al. · InTech eBooks · 8
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Hydrogen Recombination on Graphitic Surfaces
2013 · Rocco Martinazzo, Simone Casolo, et al. · Springer series in surface sciences · 6
Agentic AI for Oilfield Optimization: Bridging Expert Workflows and Generative Intelligence in Multi-Field Facilities
2025 · Richard Mohan, Robert Younger, et al. · Abu Dhabi International Petroleum Exhibition & Conference (ADIPEC) · 5
Disorder in La1−x Ba1+x GaO4−x/2 ionic conductor: resolving the pair distribution function through insight from first-principles modeling
2019 · Mauro Coduri, Simone Casolo, et al. · Journal of Applied Crystallography · 5
Inherently Chiral Macrocyclic Oligothiophenes: Easily Accessible Electrosensitive Cavities with Outstanding Enantioselection Performances
2014 · Francesco Sannicolò, Patrizia R. Mussini, et al. · Chemistry - A European Journal · 5
On the Complex Structural Picture of the Ionic Conductor Sr6Ta2O11
2013 · Niina Jalarvo, Simone Casolo, et al. · The Journal of Physical Chemistry C · 5
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Works count: 42
Citation count: 1,343
H-index: 17
I10-index: 19
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