Q<scp>uantum</scp> ESPRESSO toward the exascale
Quantum ESPRESSO is an open-source distribution of computer codes for quantum-mechanical materials modeling, based on density-functional theory, pseudopotentials, and plane wave...
Publications
3 shownWannier90 as a community code: new features and applications
Abstract W annier90 is an open-source computer program for calculating maximally-localised Wannier functions (MLWFs) from a set of Bloch states. It is interfaced to many widely ...
Revised self-consistent continuum solvation in electronic-structure calculations
The solvation model proposed by Fattebert and Gygi [J. Comput. Chem. 23, 662 (2002)10.1002/jcc.10069] and Scherlis et al. [J. Chem. Phys. 124, 074103 (2006)10.1063/1.2168456] is...
Frequent Co-Authors
Researcher Info
- h-index
- 3
- Publications
- 6
- Citations
- 8,510
- Institution
- Cambridge Quantum Computing (United Kingdom)
External Links
Identifiers
- ORCID
- 0000-0002-9764-0199
Impact Metrics
h-index
3
h-index: Number of publications with at least h citations each.