1.1k citations · 3.7k across the 21 of their papers we have counts for
21 papers
Self-Supervised Learning and Prediction of Microstructure Evolution with Recurrent Neural Networks
Kaiqi Yang, Yifan Cao, Youtian Zhang +4
Microstructural evolution is a key aspect of understanding and exploiting the structure-property-performance relation of materials. Modeling microstructure evolution usually relies…
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…
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…
A unified treatment of derivative discontinuity, delocalization and static correlation effects in density functional calculations
Fei Zhou, Vidvuds Ozolins
We propose a method that incorporates explicit derivative discontinuity of the total energy with respect to the number of electrons and treats both delocalization and static correl…
Universal scaling of the electronic and the elastic energies of small polarons revealed by high-throughput first-principles calculations
Fei Zhou, Babak Sadigh, Daniel Aberg
Formation of self-trapped holes (STH) in a comprehensive list of scintillator materials, including halides and chalcogenides, are studied using an accurate and computationally effi…
Electronic Structure Descriptor for Discovery of Narrow-Band Red-Emitting Phosphors
Zhenbin Wang, Iek-Heng Chu, Fei Zhou +1
Narrow-band red-emitting phosphors are a critical component in phosphor-converted light-emitting diodes for highly efficient illumination-grade lighting. In this work, we report th…