Advanced capabilities for materials modelling with Quantum ESPRESSO
Abstract Q uantum ESPRESSO is an integrated suite of open-source computer codes for quantum simulations of materials using state-of-the-art electronic-structure techniques, base...
Publications
View AllScreened hybrid density functionals applied to solids
Hybrid Fock exchange/density functional theory functionals have shown to be very successful in describing a wide range of molecular properties. For periodic systems, however, th...
Affiliated Researchers
Institution Info
- Type
- facility
- Country
- FR
- Publications
- 3
- Citations
- 9,186
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- ROR
- https://ror.org/017je3b10