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20042020
most citedFirst-principles prediction of redox potentials in transition-metal compounds with LDA+U

1.1k citations · 3.7k across the 21 of their papers we have counts for

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Showing 2018Show all

2 papers · 1 filter

physics.comp-ph2018★ 148 cited

Compressive sensing lattice dynamics. I. General formalism

Fei Zhou, Weston Nielson, Yi Xia +1

{\it Ab initio\} calculations have been successfully used for evaluating lattice dynamical properties of solids within the (quasi-)harmonic approximation (i.e., assuming non-intera…

cond-mat.mtrl-sci2018★ 153 cited

Compressive sensing lattice dynamics. II. Efficient phonon calculations and long-range interactions

Fei Zhou, Babak Sadigh, Daniel Aberg +2

We apply the compressive sensing lattice dynamics (CSLD) method to calculate phonon dispersion for crystalline solids. While existing methods such as frozen phonon, small displacem…