D. Morgan

activity

20032026

most citedAFLOW: An automatic framework for high-throughput materials discovery

1.6k citations · 7.9k across the 92 of their papers we have counts for

collaborators

Showing 2004Show all

2 papers · 1 filter

cond-mat.mtrl-sci2004★ 1.1k cited

First-principles prediction of redox potentials in transition-metal compounds with LDA+U

Fei Zhou, Matteo Cococcioni, Chris A. Marianetti +2

First-principles calculations within the Local Density Approximation (LDA) or Generalized Gradient Approximation (GGA), though very successful, are known to underestimate redox pot…

cond-mat.mtrl-sci2004★ 164 cited

Phase Separation in Li $_{x}$ FePO $_{4}$ Induced by Correlation Effects

F. Zhou, C. A. Marianetti, M. Cococcioni +2

We report on a significant failure of LDA and GGA to reproduce the phase stability and thermodynamics of mixed-valence Li $_{x}$ FePO $_{4}$ compounds. Experimentally, Li $_{x}$ FePO $_{4}$ comp…

First-principles prediction of redox potentials in transition-metal compounds with LDA+U

Phase Separation in Lix​FePO4​ Induced by Correlation Effects

Phase Separation in Li $_{x}$ FePO $_{4}$ Induced by Correlation Effects