Matteo Cococcioni
Affiliations: | Material Science and Engineering | University of Minnesota, Twin Cities, Minneapolis, MN |
Area:
Chemical Engineering, Materials Science Engineering, Quantum PhysicsGoogle:
"Matteo Cococcioni"
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Publications
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| Timrov I, Agrawal P, Zhang X, et al. (2020) Electronic structure of pristine and Ni-substituted LaFeO3 from near edge x-ray absorption fine structure experiments and first-principles simulations Arxiv: Strongly Correlated Electrons. 2 |
| Ricca C, Timrov I, Cococcioni M, et al. (2020) Self-consistent DFT+U+V study of oxygen vacancies in SrTiO3 Arxiv: Materials Science. 2: 23313 |
| Sun Y, Cococcioni M, Wentzcovitch RM. (2020) LDA+Usc calculations of phase relations in FeO Physical Review Materials. 4 |
| Floris A, Timrov I, Himmetoglu B, et al. (2020) Hubbard-corrected density functional perturbation theory with ultrasoft pseudopotentials Physical Review B. 101 |
| Cococcioni M, Marzari N. (2019) Energetics and cathode voltages of Li M PO 4 olivines ( M = Fe , Mn) from extended Hubbard functionals Physical Review Materials. 3: 33801 |
| Ricca C, Timrov I, Cococcioni M, et al. (2019) Self-consistent site-dependent DFT+ U study of stoichiometric and defective SrMnO3 Physical Review B. 99 |
| Timrov I, Marzari N, Cococcioni M. (2018) Hubbard parameters from density-functional perturbation theory Physical Review B. 98: 85127 |
| Giannozzi P, Andreussi O, Brumme T, et al. (2017) Advanced capabilities for materials modelling with Quantum ESPRESSO. Journal of Physics. Condensed Matter : An Institute of Physics Journal. 29: 465901 |
| Mann GW, Lee K, Cococcioni M, et al. (2016) First-principles Hubbard U approach for small molecule binding in metal-organic frameworks. The Journal of Chemical Physics. 144: 174104 |
| Shukla G, Wu Z, Hsu H, et al. (2015) Thermoelasticity of Fe<sup>2+</sup>-bearing bridgmanite Geophysical Research Letters. 42: 1741-1749 |