401 citations · 2.8k across the 29 of their papers we have counts for
Showing 2014 · cond-mat.mtrl-sciShow all
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cond-mat.mtrl-sci2014★ 77 cited
Non-Grotthuss Proton Diffusion Mechanism in Tungsten Oxide Dihydrate from First-Principles Calculations
Hao Lin, Fei Zhou, Chi-Ping Liu +1
Fast proton conduction mechanism is of key importance for achieving high performance in fuel cell membranes, batteries, supercapacitors, and electrochromic materials. Enhanced prot…
cond-mat.mtrl-sci2014★ 401 cited
Lattice anharmonicity and thermal conductivity from compressive sensing of first-principles calculations
Fei Zhou, Weston Nielson, Yi Xia +1
First-principles prediction of lattice thermal conductivity of strongly anharmonic crystals is a long-standing challenge in solid state physics. Making use of recent advances…
cond-mat.mtrl-sci2014★ 3 cited
Compressed Wannier modes found from an regularized energy functional
Farzin Barekat, Ke Yin, Russel E. Caflisch +3
We propose a method for calculating Wannier functions of periodic solids directly from a modified variational principle for the energy, subject to the requirement that the Wannier…