Lorenzo Maschio (Roberto Dovesi)

Scopus Author ID ResearcherID ORCID

Publication Activity (10 Years)

Years Active: 2017-2024
Publications (10 Years): 21

Top Venues

Journal of chemical theory and computation

Physical chemistry chemical physics : PCCP

The journal of physical chemistry. C, Nanomaterials and interfaces

Nanotechnology

Università degli Studi di Torino

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

Affiliation History

Università degli Studi di Torino Dec 22 2017

Italy

Professore Associato :: Chimica

Publications

Naiara Leticia Marana, Fabrizio Silveri, Eduardo de Oliveira Gomes, Lorenzo Donà, Maddalena D'amore, Eleonora Ascrizzi, Mauro Francesco Sgroi, Lorenzo Maschio, Anna Maria Ferrari
A computational study of the negative LiIn modified anode and its interaction with β-Li 3 PS 4 solid-electrolyte for battery applications. Physical chemistry chemical physics : PCCP 26 (21) (2024)
Laura Bonometti, Loredana E Daga, Riccardo Rocca, Naiara Leticia Marana, Silvia Maria Casassa, Maddalena D'amore, Kari Laasonen, Martin Petit, Fabrizio Silveri, Mauro F Sgroi, Anna Maria Ferrari, Lorenzo Maschio
Path ahead: Tackling the Challenge of Computationally Estimating Lithium Diffusion in Cathode Materials. The journal of physical chemistry. C, Nanomaterials and interfaces 128 (29) (2024)
Naiara Leticia Marana, Fabrizio Silveri, Eduardo de Oliveira Gomes, Lorenzo Donà, Maddalena D'amore, Eleonora Ascrizzi, Mauro Francesco Sgroi, Lorenzo Maschio, Anna Maria Ferrari
A computational study of the negative LiIn modified anode and its interaction with β-Li 3 PS 4 solid-electrolyte for battery applications. Physical chemistry chemical physics : PCCP (2024)
Laura Bonometti, Loredana E Daga, Riccardo Rocca, Naiara Leticia Marana, Silvia Maria Casassa, Maddalena D'amore, Kari Laasonen, Martin Petit, Fabrizio Silveri, Mauro F Sgroi, Anna Maria Ferrari, Lorenzo Maschio
Path ahead: Tackling the Challenge of Computationally Estimating Lithium Diffusion in Cathode Materials. The journal of physical chemistry. C, Nanomaterials and interfaces 128 (29) (2024)
Eleonora Ascrizzi, Silvia Maria Casassa, Loredana Edith Daga, Atreyi Dasmahapatra, Lorenzo Maschio, Antti J Karttunen, Stefano Boldrini, Alberto Ferrario, Carlo Fanciulli, Francesco Aversano, Marcello Baricco, Alberto Castellero
Experimental and computational study of the role of defects and secondary phases on the thermoelectric properties of TiNi 1+ x Sn (0 ≤ x ≤ 0.12) half Heusler compounds. Nanotechnology 34 (31) (2023)
Eleonora Ascrizzi, Silvia Maria Casassa, Loredana Edith Daga, Atreyi Dasmahapatra, Lorenzo Maschio, Antti J Karttunen, Stefano Boldrini, Alberto Ferrario, Carlo Fanciulli, Francesco Aversano, Marcello Baricco, Alberto Castellero
Experimental and computational study of the role of defects and secondary phases on the thermoelectric properties of TiNi 1+ x Sn (0 ≤ x ≤ 0.12) half Heusler compounds. Nanotechnology 34 (31) (2023)
François Mairesse, Lorenzo Maschio, Benoît Champagne
First-principles evaluation of the second harmonic generation response of reference organic and inorganic crystals. The Journal of chemical physics 158 (6) (2023)
Naiara Leticia Marana, Silvia Maria Casassa, Mauro Francesco Sgroi, Lorenzo Maschio, Fabrizio Silveri, Maddalena D'amore, Anna Maria Ferrari
Stability and Formation of the Li 3 PS 4 /Li, Li 3 PS 4 /Li 2 S, and Li 2 S/Li Interfaces: A Theoretical Study. Langmuir : the ACS journal of surfaces and colloids (2023)
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)
Maddalena D'amore, Loredana Edith Daga, Riccardo Rocca, Mauro Francesco Sgroi, Naiara Leticia Marana, Silvia Maria Casassa, Lorenzo Maschio, Anna Maria Ferrari
From symmetry breaking in the bulk to phase transitions at the surface: a quantum-mechanical exploration of Li 6 PS 5 Cl argyrodite superionic conductor. Physical chemistry chemical physics : PCCP 24 (37) (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)
Naiara Leticia Marana, Mauro Francesco Sgroi, Lorenzo Maschio, Anna Maria Ferrari, Maddalena D'amore, Silvia Maria Casassa
Computational Characterization of β-Li 3 PS 4 Solid Electrolyte: From Bulk and Surfaces to Nanocrystals. Nanomaterials (Basel, Switzerland) 12 (16) (2022)
Loredana Edith Daga, Lorenzo Maschio
Electronic Excitations in Crystalline Solids through the Maximum Overlap Method. Journal of chemical theory and computation 17 (10) (2021)
Hung-Hsuan Lin, Lorenzo Maschio, Daniel Kats, Denis Usvyat, Thomas Heine
Fragment-Based Restricted Active Space Configuration Interaction with Second-Order Corrections Embedded in Periodic Hartree-Fock Wave Function. Journal of chemical theory and computation 16 (11) (2020)
Loredana Edith Daga, Bartolomeo Civalleri, Lorenzo Maschio
Gaussian Basis Sets for Crystalline Solids: All-Purpose Basis Set Libraries vs System-Specific Optimizations. Journal of chemical theory and computation 16 (4) (2020)
Michele Cutini, Lorenzo Maschio, Piero Ugliengo
Exfoliation Energy of Layered Materials by DFT-D: Beware of Dispersion! Journal of chemical theory and computation 16 (8) (2020)
Lorenzo Maschio, Francesco Silvio Gentile, Anna Maria Ferrari, Fabien Pascale, Simone Salustro, Philippe D'Arco
On the Models for the Investigation of Charged Defects in Solids: The Case of the VN- Defect in Diamond. The journal of physical chemistry. A 123 (22) (2019)
Alessandro Erba, Jefferson Maul, Matteo Ferrabone, Philippe Carbonnière, Michel Rérat, Lorenzo Maschio
Anharmonic Vibrational States of Solids from DFT Calculations. Part I: Description of the Potential Energy Surface. Journal of chemical theory and computation 15 (6) (2019)
Lorenzo Maschio, Bernard Kirtman
Coupled Perturbation Theory Approach to Dual Basis Sets for Molecules and Solids. 1. General Theory and Application to Molecules. Journal of chemical theory and computation 16 (1) (2019)
Alessandro Erba, Jefferson Maul, Matteo Ferrabone, Lorenzo Maschio, Michel Rérat, Philippe Carbonnière
Anharmonic Vibrational States of Solids from DFT Calculations. Part II: Implementation of the VSCF and VCI Methods. Journal of chemical theory and computation 15 (6) (2019)
Giuseppe Sansone, Lorenzo Maschio, Antti J Karttunen
One-Dimensional Phosphorus Nanostructures: from Nanorings to Nanohelices. Chemistry (Weinheim an der Bergstrasse, Germany) 23 (63) (2017)

Lorenzo Maschio.css-eqlu8i{font-size:small;padding-left:4px;} (Roberto Dovesi)

Publication Activity (10 Years)

Top Topics

Top Venues

Lorenzo Maschio (Roberto Dovesi)