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Journal of Chemical Theory and Computation|November 19, 2015
Fate of a Graphene Flake: A New Route toward Fullerenes Disclosed with Ab Initio SimulationsFabio Pietrucci, Wanda AndreoniJournal of Physics. Condensed Matter : an Institute of Physics Journal|November 1, 2016
CO<sub>2</sub> capture in amine solutions: modelling and simulations with non-empirical methodsWanda Andreoni, Fabio PietrucciPhysical Review Letters|September 21, 2011
Graph theory meets ab initio molecular dynamics: atomic structures and transformations at the nanoscaleFabio Pietrucci, Wanda AndreoniJournal of Chemical Theory and Computation|November 18, 2015
Capture and Release of CO₂ in Monoethanolamine Aqueous Solutions: New Insights from First-Principles Reaction DynamicsChangru Ma, Fabio Pietrucci, Wanda AndreoniThe Journal of Physical Chemistry Letters|August 14, 2015
Capturing CO2 in Monoethanolamine (MEA) Aqueous Solutions: Fingerprints of Carbamate Formation Assessed with First-Principles SimulationsChangru Ma, Fabio Pietrucci, Wanda AndreoniChemical Science|June 24, 2021
How natural materials remove heavy metals from water: mechanistic insights from molecular dynamics simulationsFabio Pietrucci, Mauro Boero, Wanda AndreoniThe Journal of Physical Chemistry. B|July 7, 2025
Fate of Cadmium and Lead Nitrates in WaterMauro Boero, Fabio Pietrucci, Wanda AndreoniMolecules (Basel, Switzerland)|September 28, 2023
CO<sub>2</sub> Capture and Release in Amine Solutions: To What Extent Can Molecular Simulations Help Understand the Trends?Changru Ma, Fabio Pietrucci, Wanda AndreoniJournal of Chemical Theory and Computation|November 26, 2015
Bridging Static and Dynamical Descriptions of Chemical Reactions: An ab Initio Study of CO2 Interacting with Water MoleculesGrégoire A Gallet, Fabio Pietrucci, Wanda AndreoniJournal of Chemical Theory and Computation|November 22, 2015
The Fate of a Zwitterion in Water from ab Initio Molecular Dynamics: Monoethanolamine (MEA)-CO2Ciro A Guido, Fabio Pietrucci, Grégoire A Gallet, et al.Pageof 8