Clotilde S Cucinotta

Publication Activity (10 Years)

Years Active: 2024-2024
Publications (10 Years): 10

Top Topics

Density Functional Theory

Sensitive Detection

Gold Nanoparticles

Top Venues

The journal of physical chemistry letters

Journal of chemical theory and computation

This page only lists publications with an associated author ORCID identifier.

Publications

Margherita Buraschi, Andrew P Horsfield, Clotilde S Cucinotta
Revealing Interface Polarization Effects on the Electrical Double Layer with Efficient Open Boundary Simulations under Potential Control. The journal of physical chemistry letters 15 (18) (2024)
Christian S Ahart, Sergey K Chulkov, Clotilde S Cucinotta
Enabling Ab Initio Molecular Dynamics under Bias: The CP2K+SMEAGOL Interface for Integrating Density Functional Theory and Non-Equilibrium Green Functions. Journal of chemical theory and computation 20 (15) (2024)
Christian S Ahart, Sergey K Chulkov, Clotilde S Cucinotta
Enabling Ab Initio Molecular Dynamics under Bias: The CP2K+SMEAGOL Interface for Integrating Density Functional Theory and Non-Equilibrium Green Functions. Journal of chemical theory and computation 20 (15) (2024)
Margherita Buraschi, Andrew P Horsfield, Clotilde S Cucinotta
Revealing Interface Polarization Effects on the Electrical Double Layer with Efficient Open Boundary Simulations under Potential Control. The journal of physical chemistry letters (2024)
Margherita Buraschi, Andrew P Horsfield, Clotilde S Cucinotta
Revealing Interface Polarization Effects on the Electrical Double Layer with Efficient Open Boundary Simulations under Potential Control. The journal of physical chemistry letters 15 (18) (2024)
Mengxuan Li, Clotilde S Cucinotta, Andrew P Horsfield
A computational model for a molecular chemical sensor. Nanoscale (2024)
Christian S Ahart, Sergey K Chulkov, Clotilde S Cucinotta
Enabling Ab Initio Molecular Dynamics under Bias: The CP2K+SMEAGOL Interface for Integrating Density Functional Theory and Non-Equilibrium Green Functions. Journal of chemical theory and computation (2024)
Margherita Buraschi, Andrew P Horsfield, Clotilde S Cucinotta
Revealing Interface Polarization Effects on the Electrical Double Layer with Efficient Open Boundary Simulations under Potential Control. The journal of physical chemistry letters 15 (18) (2024)
Mengxuan Li, Clotilde S Cucinotta, Andrew P Horsfield
A computational model for a molecular chemical sensor. Nanoscale 16 (10) (2024)
Christian S Ahart, Sergey K Chulkov, Clotilde S Cucinotta
Enabling Ab Initio Molecular Dynamics under Bias: The CP2K+SMEAGOL Interface for Integrating Density Functional Theory and Non-Equilibrium Green Functions. Journal of chemical theory and computation 20 (15) (2024)