Matteo Cococcioni
- QUANTUM ESPRESSO: a modular and open-source software project for quantum simulations of materials
2009/09/01 by Paolo Giannozzi, Stefano Baroni, Nicola Bonini +30 · 302 citations
- Hubbard-corrected DFT energy functionals: The LDA+U description of correlated systems
2013/07/26 by Burak Himmetoglu, Burak Himmetoḡlu, Andrea Floris +2 · 44 citations
Physics and Astronomy · Chemistry · Chemical Engineering · #Advanced Chemical Physics Studies #Inorganic Fluorides and Related Compounds #Catalysis and Oxidation Reactions
- Electronic-Enthalpy Functional for Finite Systems Under Pressure
2005/04/11 by Matteo Cococcioni, Francesco Mauri, Gerbrand Ceder +1 · 3 citations
Earth and Planetary Sciences · Engineering · Materials Science · Physics and Astronomy · #Diamond and Carbon-based Materials Research #Energetic Materials and Combustion #High-pressure geophysics and materials #cond-mat.mtrl-sci
- Simulation of Heme using DFT+U: a step toward accurate spin-state\n energetics
2007/05/18 by Damián A. Scherlis, Matteo Cococcioni, Scherlis, Damian A. +5 · 1 citation
Biochemistry, Genetics and Molecular Biology · Materials Science · #FOS: Physical sciences #Hemoglobin structure and function #Magnetism in coordination complexes #Porphyrin and Phthalocyanine Chemistry #Soft Condensed Matter (cond-mat.soft)