Chiara Ribaldone

Publication Activity (10 Years)

Years Active: 2020-2024
Publications (10 Years): 10

Top Topics

Molecularly Imprinted

Molecular Dynamics

Top Venues

Journal of chemical theory and computation

Materials (Basel, Switzerland)

Nanoscale advances

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

Publications

Eleonora Ascrizzi, Chiara Ribaldone, Silvia Maria Casassa
Crucial Role of Ni Point Defects and Sb Doping for Tailoring the Thermoelectric Properties of ZrNiSn Half-Heusler Alloy: An Ab Initio Study. Materials (Basel, Switzerland) 17 (5) (2024)
Eleonora Ascrizzi, Chiara Ribaldone, Silvia Maria Casassa
Crucial Role of Ni Point Defects and Sb Doping for Tailoring the Thermoelectric Properties of ZrNiSn Half-Heusler Alloy: An Ab Initio Study. Materials (Basel, Switzerland) 17 (5) (2024)
Chiara Ribaldone, Silvia Maria Casassa
Born-Oppenheimer Molecular Dynamics with a Linear Combination of Atomic Orbitals and Hybrid Functionals for Condensed Matter Simulations Made Possible. Theory and Performance for the Microcanonical and Canonical Ensembles. Journal of chemical theory and computation 20 (9) (2024)
Eleonora Ascrizzi, Chiara Ribaldone, Silvia Maria Casassa
Crucial Role of Ni Point Defects and Sb Doping for Tailoring the Thermoelectric Properties of ZrNiSn Half-Heusler Alloy: An Ab Initio Study. Materials (Basel, Switzerland) 17 (5) (2024)
Chiara Ribaldone, Silvia Maria Casassa
Born-Oppenheimer Molecular Dynamics with a Linear Combination of Atomic Orbitals and Hybrid Functionals for Condensed Matter Simulations Made Possible. Theory and Performance for the Microcanonical and Canonical Ensembles. Journal of chemical theory and computation (2024)
Chiara Ribaldone, Silvia Maria Casassa
Born-Oppenheimer Molecular Dynamics with a Linear Combination of Atomic Orbitals and Hybrid Functionals for Condensed Matter Simulations Made Possible. Theory and Performance for the Microcanonical and Canonical Ensembles. Journal of chemical theory and computation 20 (9) (2024)
Chiara Ribaldone, Silvia Maria Casassa
Born-Oppenheimer Molecular Dynamics with a Linear Combination of Atomic Orbitals and Hybrid Functionals for Condensed Matter Simulations Made Possible. Theory and Performance for the Microcanonical and Canonical Ensembles. Journal of chemical theory and computation 20 (9) (2024)
Alessandro Erba, Jacques K Desmarais, Silvia Maria Casassa, Bartolomeo Civalleri, Lorenzo Donà, Ian J Bush, Barry Searle, Lorenzo Maschio, Loredana Edith-Daga, Alessandro Cossard, Chiara Ribaldone, Eleonora Ascrizzi, Naiara Leticia Marana, Jean-Pierre Flament, Bernard Kirtman
CRYSTAL23: A Program for Computational Solid State Physics and Chemistry. Journal of chemical theory and computation (2022)
Alessandro Erba, Jacques K Desmarais, Silvia Maria Casassa, Bartolomeo Civalleri, Lorenzo Donà, Ian J Bush, Barry Searle, Lorenzo Maschio, Loredana Edith-Daga, Alessandro Cossard, Chiara Ribaldone, Eleonora Ascrizzi, Naiara Leticia Marana, Jean-Pierre Flament, Bernard Kirtman
CRYSTAL23: A Program for Computational Solid State Physics and Chemistry. Journal of chemical theory and computation (2022)
Chiara Ribaldone, Daniele Dragoni, Marco Bernasconi
A first-principles study of the switching mechanism in GeTe/InSbTe superlattices. Nanoscale advances 2 (11) (2020)