Matteo Cococcioni

University of Pavia — Italy

Physics and Astronomy · Physical Sciences

39h-index40.5kcitations142works3.22yr avg
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Research Topics

Advanced Chemical Physics Studies(25), Magnetic and transport properties of perovskites and related materials(21), High-pressure geophysics and materials(18), Advanced Condensed Matter Physics(11), Electronic and Structural Properties of Oxides(11)

Publications142 total

Magnetic properties of <mml:math xmlns:mml="http://www.w3.org/1998/Math/MathML"><mml:msub><mml:mi>Cr</mml:mi><mml:mn>8</mml:mn></mml:msub></mml:math> and <mml:math xmlns:mml="http://www.w3.org/1998/Math/MathML"><mml:msub><mml:mi mathvariant="normal">V</mml:mi><mml:mn>8</mml:mn></mml:msub></mml:math> molecular rings from <i>ab initio</i> calculations
Physical review. B./Physical review. B·2025
Intercalation voltages and ion diffusion in Mn-based transition metal fluorophosphates as cathode materials for Na-ion batteries: a synergistic experimental and theoretical approach
Journal of Energy Storage·2025· 3 citedOpen Access
Magnetic properties of Cr$_8$ and V$_8$ molecular rings from ab initio calculations
arXiv (Cornell University)·2025Open Access
Relativistic Dynamics and Electron Transport in Isolated Chiral Molecules
arXiv (Cornell University)·2024· 1 citedOpen Access
Ternary Oxides of <mml:math xmlns:mml="http://www.w3.org/1998/Math/MathML" display="inline" overflow="scroll"><mml:mi>s</mml:mi></mml:math>- and <mml:math xmlns:mml="http://www.w3.org/1998/Math/MathML" display="inline" overflow="scroll"><mml:mi>p</mml:mi></mml:math>-Block Metals for Photocatalytic Solar-to-Hydrogen Conversion
PRX Energy·2024· 12 citedOpen Access
Ternary oxides of $\textit{s}$- and $\textit{p}$-block metals for photocatalytic solar-to-hydrogen conversion
arXiv (Cornell University)·2023· 1 citedOpen Access
Accurate Electronic Properties and Intercalation Voltages of Olivine-Type Li-Ion Cathode Materials from Extended Hubbard Functionals
PRX Energy·2022· 45 citedOpen Access
HP – A code for the calculation of Hubbard parameters using density-functional perturbation theory
Computer Physics Communications·2022· 4 citedOpen Access
Erratum: Pulay forces in density-functional theory with extended Hubbard functionals: From nonorthogonalized to orthogonalized manifolds [Phys. Rev. B <b>102</b>, 235159 (2020)]
Physical review. B./Physical review. B·2022· 6 citedOpen Access
Accurate electronic properties and intercalation voltages of olivine-type Li-ion cathode materials from extended Hubbard functionals
arXiv (Cornell University)·2022Open Access
Correction: Optimizing accuracy and efficacy in data-driven materials discovery for the solar production of hydrogen
Energy & Environmental Science·2022· 1 citedOpen Access
Energy Level Alignment at the Cobalt Phosphate/Electrolyte Interface: Intrinsic Stability vs Interfacial Chemical Reactions in 5 V Lithium Ion Batteries
ACS Applied Materials & Interfaces·2021· 11 citedOpen Access
<i>Ab Initio</i> Electron-Phonon Interactions in Correlated Electron Systems
Physical Review Letters·2021· 52 citedOpen Access
The Different Story of π Bonds
Molecules·2021· 2 citedOpen Access
Magnetic Energy Landscape of Dimolybdenum Tetraacetate on a Bulk Insulator Surface
Applied Sciences·2021· 3 citedOpen Access
Electron-phonon interactions in transition metal oxides in the framework of DFT+U
Bulletin of the American Physical Society·2021
Phase relations in iron monoxides from LDA + U sc calculations
Bulletin of the American Physical Society·2021
Ab initio electron-phonon interactions in correlated electron systems
PubMed·2021· 4 citedOpen Access
Electron-phonon interactions in transition metal oxides in the framework of DFT+$U$
arXiv (Cornell University)·2021Open Access
Self-consistent Hubbard parameters from density-functional perturbation theory in the ultrasoft and projector-augmented wave formulations
Physical review. B./Physical review. B·2021· 204 citedOpen Access
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Frequent Co-authors

Nicola Marzari(20), Renata M. Wentzcovitch(10), Iurii Timrov(9), Stefano de Gironcoli(8), Burak Himmetoḡlu(8), Ismaïla Dabo(6), Andrea Floris(5), Han Hsu(5), Gerbrand Ceder(4), Alon V. McCormick(4), Michael Tsapatsis(4), Matteo Calandra(3), Andrea Dal Corso(3), Francesco Mauri(3), Fei Zhou(3), Chun-Yi Sung(3), Damián A. Scherlis(3), Andrea Ferretti(3), Paolo Giannozzi(2), Stefano Baroni(2)