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Matteo Cococcioni

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Related publications (21)

Please note that this is not a complete list of this person’s publications. It includes only semantically relevant works. For a full list, please refer to Infoscience.

HP - A code for the calculation of Hubbard parameters using density-functional perturbation theory

Nicola Marzari, Iurii Timrov, Matteo Cococcioni

We introduce HP, an implementation of density-functional perturbation theory, designed to compute Hubbard parameters (on-site U and inter-site V ) in the framework of DFT+U and DFT+U+V. The code does not require the use of computationally expensive superce ...

ELSEVIER2022

Energy Level Alignment at the Cobalt Phosphate/Electrolyte Interface: Intrinsic Stability vs Interfacial Chemical Reactions in 5 V Lithium Ion Batteries

Nicola Marzari, Matteo Cococcioni

The intrinsic stability of the 5 V LiCoPO4-LiCo2P3O10 thin-film (carbon-free) cathode material coated with MoO3 thin layer is studied using a comprehensive synchrotron electron spectroscopy in situ approach combined with firstprinciple calculations. The at ...

AMER CHEMICAL SOC2022

Optimizing accuracy and efficacy in data-driven materials discovery for the solar production of hydrogen (vol 14, pg 2335, 2021)

Iurii Timrov, Matteo Cococcioni

Correction for 'Optimizing accuracy and efficacy in data-driven materials discovery for the solar production of hydrogen' by Yihuang Xiong et al., Energy Environ. Sci., 2021, 14, 2335-2348; DOI: 10.1039/D0EE02984J. ...

ROYAL SOC CHEMISTRY2022