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Publications by Nicola Marzari

Equipartition of Energy Defines the Size-Thickness Relationship in Liquid-Exfoliated Nanosheets

ACS Nano
Materials ScienceNanoscienceEngineeringNanotechnologyAstronomyPhysics
2019English

Potential-Induced Nanoclustering of Metallic Catalysts During Electrochemical CO2 Reduction

Nature Communications
AstronomyGeneticsMolecular BiologyBiochemistryChemistryPhysics
2018English

An Updated Version of Wannier90: A Tool for Obtaining Maximally-Localised Wannier Functions

Computer Physics Communications
HardwareAstronomyPhysicsArchitecture
2014English

Accurate Potential Energy Surfaces With a DFT+U(R) Approach

Journal of Chemical Physics
MedicineTheoretical ChemistryAstronomyPhysicsPhysical
2011English

Systematic Study of First-Row Transition-Metal Diatomic Molecules: A Self-Consistent DFT+U Approach

Journal of Chemical Physics
MedicineTheoretical ChemistryAstronomyPhysicsPhysical
2010English

Transition-Metal Dioxides: A Case for the Intersite Term in Hubbard-Model Functionals

Journal of Chemical Physics
MedicineTheoretical ChemistryAstronomyPhysicsPhysical
2011English

First-Principles Molecular Dynamics Simulations of Proton Diffusion in Cubic BaZrO $$_3$$ 3 Perovskite Under Strain Conditions

Materials for Renewable and Sustainable Energy
OpticalRenewable EnergyFuel TechnologySustainabilityMaterials ChemistryMagnetic MaterialsElectronicthe Environment
2016English

Koopmans’ Condition for Density-Functional Theory

Physical Review B
2010English

Dominant Phonon Wave Vectors and Strain-Induced Splitting of The2DRaman Mode of Graphene

Physical Review B
2012English

Berry Phase and Pseudospin Winding Number in Bilayer Graphene

Physical Review B
2011English

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