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Lorenzo Maschio

university of turin

36H-index
146Paper Count
8.1KCitation Count
Published Papers 76
Publication Date
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Adiabatic Connection Correlation Functionals in Metallic Solids from Hartree–Fock Gaussian Basis Set Ground State
errThe Journal of Physical Chemistry Letters
IF0
err2026-06-10
err0
errOAAI
errFabio Della Sala; Fulvio Sarcinella; Lucian A. Constantin; Lorenzo Donà; Eduardo Fabiano; Lorenzo Maschio; Bartolomeo Civalleri
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Adiabatic Connection Methods Applied to Molecular Crystals
errJournal of Chemical Theory and Computation
IF5.5
err2026-05-04
err0
errOAAI
errEduardo Fabiano; Fulvio Sarcinella; Fabio Della Sala; Chiara Ribaldone; Lorenzo Donà; Bartolomeo Civalleri; Lorenzo Maschio
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Water Adsorption Properties of Boron Carbonitride Monolayers: Effects of Substitution Patterns and Alumina Support
errACS Omega
IF4.3
err2026-02-04
err0
errOAAI
errMarcos Rivera-Almazo; Bartolomeo Civalleri; Lorenzo Maschio
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Toward a thermodynamic stability order of the phosphorus allotropes
errRSC ADVANCES
IF4.6
err2025-10-31
err0
errOAAI
errBonometti, Laura; Sansone, Giuseppe; Rivera-Almazo, Marcos; Usvyat, Denis; Karttunen, Antti J.; Maschio, Lorenzo
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A Case Study of an Energy Barrier in Li-Ion Battery Cathode Material Using DFT and Post-HF Approaches
errJOURNAL OF CHEMICAL THEORY AND COMPUTATION
IF5.5
err2024-11-07
err0
PREAI
errBonometti, Laura; Usvyat, Denis; Maschio, Lorenzo
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Path ahead: Tackling the Challenge of Computationally Estimating Lithium Diffusion in Cathode Materials
errJOURNAL OF PHYSICAL CHEMISTRY C
IF3.2
err2024-07-11
err1
PREAI
errBonometti, Laura; Daga, Loredana E.; Rocca, Riccardo; Marana, Naiara L.; Casassa, Silvia; D'Amore, Maddalena; Laasonen, Kari; Petit, Martin; Silveri, Fabrizio; Sgroi, Mauro F.; Ferrari, Anna M.; Maschio, Lorenzo
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A computational study of the negative LiIn modified anode and its interaction with β-Li3PS4 solid-electrolyte for battery applications
errPHYSICAL CHEMISTRY CHEMICAL PHYSICS
IF2.9
err2024-01-01
err1
errOAAI
errMarana, Naiara Leticia; Silveri, Fabrizio; de Oliveira Gomes, Eduardo; Dona, Lorenzo; D'Amore, Maddalena; Ascrizzi, Eleonora; Sgroi, Mauro Francesco; Maschio, Lorenzo; Ferrari, Anna Maria
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Stability and Formation of the Li3PS4/Li, Li3PS4/Li2S, and Li2S/Li Interfaces: A Theoretical Study
errLANGMUIR
IF3.9
err2023-12-11
err3
errOAAI
errMarana, Naiara Leticia; Casassa, Silvia; Sgroi, Mauro Francesco; Maschio, Lorenzo; Silveri, Fabrizio; D'Amore, Maddalena; Ferrari, Anna Maria
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A Fresh Look at a Well-Known Solid: Structure, Vibrational Spectra, and Formation Energy of NaNH2
errJOURNAL OF PHYSICAL CHEMISTRY C
IF3.2
err2023-06-13
err3
errOAAI
errBonometti, Laura; Kraus, Florian; Graubner, Tim; Karttunen, Antti J.; Civalleri, Bartolomeo; Dona, Lorenzo; Maschio, Lorenzo
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First-principles evaluation of the second harmonic generation response of reference organic and inorganic crystals
errJOURNAL OF CHEMICAL PHYSICS
IF3.1
err2023-02-14
err4
PREAI
errMairesse, Francois; Maschio, Lorenzo; Champagne, Benoit
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errSave
Probing Defects and Spin-Phonon Coupling in CrSBr via Resonant Raman Scattering
errADVANCED FUNCTIONAL MATERIALS
IF19
err2023-01-08
err23
errOAAI
errTorres, Kierstin; Kuc, Agnieszka; Maschio, Lorenzo; Pham, Thang; Reidy, Kate; Dekanovsky, Lukas; Sofer, Zdenek; Ross, Frances M.; Klein, Julian
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CRYSTAL23: A Program for Computational Solid State Physics and Chemistry
errJOURNAL OF CHEMICAL THEORY AND COMPUTATION
IF5.5
err2022-12-11
err137
errOAAI
errErba, Alessandro; Desmarais, Jacques K.; Casassa, Silvia; Civalleri, Bartolomeo; Dona, Lorenzo; Bush, Ian J.; Searle, Barry; Maschio, Lorenzo; Edith-Daga, Loredana; Cossard, Alessandro; Ribaldone, Chiara; Ascrizzi, Eleonora; Marana, Naiara L.; Flament, Jean-Pierre; Kirtman, Bernard
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Ion Conductivity in a Magnesium Borohydride Ammonia Borane Solid-State Electrolyte
errJOURNAL OF PHYSICAL CHEMISTRY C
IF3.2
err2022-08-30
err10
errOAAI
errPalumbo, Mauro; Kisu, Kazuaki; Gulino, Valerio; Nervi, Carlo; Maschio, Lorenzo; Casassa, Silvia; Orimo, Shin-ichi; Baricco, Marcello
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Computational Characterization of β-Li3PS4 Solid Electrolyte: From Bulk and Surfaces to Nanocrystals
errNANOMATERIALS
IF4.3
err2022-08-15
err5
errOAAI
errMarana, Naiara Leticia; Sgroi, Mauro Francesco; Maschio, Lorenzo; Ferrari, Anna Maria; D'Amore, Maddalena; Casassa, Silvia
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Reaction barriers on non-conducting surfaces beyond periodic local MP2: Diffusion of hydrogen on α-Al2O3 (0001) as a test case
errJOURNAL OF CHEMICAL PHYSICS
IF3.1
err2022-02-18
err9
PREAI
errMullan, Thomas; Maschio, Lorenzo; Saalfrank, Peter; Usvyat, Denis
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Electrical control of orbital and vibrational interlayer coupling in bi- and trilayer 2H-MoS2
errPHYSICAL REVIEW MATERIALS
IF3.4
err2022-02-07
err4
errOAAI
errKlein, J.; Wierzbowski, J.; Soubelet, P.; Brumme, T.; Maschio, L.; Kuc, A.; Mueller, K.; Stier, A., V; Finley, J. J.
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From symmetry breaking in the bulk to phase transitions at the surface: a quantum-mechanical exploration of Li6PS5Cl argyrodite superionic conductor
errPHYSICAL CHEMISTRY CHEMICAL PHYSICS
IF2.9
err2022-01-01
err7
errOAAI
errD'Amore, Maddalena; Daga, Loredana Edith; Rocca, Riccardo; Sgroi, Mauro Francesco; Marana, Naiara Leticia; Casassa, Silvia Maria; Maschio, Lorenzo; Ferrari, Anna Maria
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Electronic Excitations in Crystalline Solids through the Maximum Overlap Method
errJOURNAL OF CHEMICAL THEORY AND COMPUTATION
IF5.5
err2021-09-30
err6
errOAAI
errDaga, Loredana Edith; Maschio, Lorenzo
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Salicylideneaniline-Based Covalent Organic Frameworks: A New Family of Multistate Second-Order Nonlinear Optical Switches
errJOURNAL OF PHYSICAL CHEMISTRY C
IF3.2
err2020-10-22
err14
PREAI
errQuertinmont, Jean; Maschio, Lorenzo; Datta, Ayan; Champagne, Benoit
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Fragment-Based Restricted Active Space Configuration Interaction with Second-Order Corrections Embedded in Periodic Hartree-Fock Wave Function
errJOURNAL OF CHEMICAL THEORY AND COMPUTATION
IF5.5
err2020-10-19
err13
PREAI
errLin, Hung-Hsuan; Maschio, Lorenzo; Kats, Daniel; Usvyat, Denis; Heine, Thomas
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Research Directions

No research directions
Co-authors
Cooperation Journals
S
Silvia Bordiga
H-index: 123 · Papers: 709
T
Thomas Heine
H-index: 108 · Papers: 820
C
Carlo Lamberti
H-index: 104 · Papers: 541
Z
Zdeněk Sofer
H-index: 98 · Papers: 1.1K
F
Francesco Mauri
H-index: 97 · Papers: 596
View more