Peize Lin

most citedReproducibility of Hybrid Density Functional Calculations for Equation-of-State Properties and Band Gaps

14 citations · 17 across the 3 of their papers we have counts for

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cond-mat.mtrl-sci2023★ 3 cited

Efficient hybrid density functional calculation by deep learning

Zechen Tang, He Li, Peize Lin +7

Hybrid density functional calculation is indispensable to accurate description of electronic structure, whereas the formidable computational cost restricts its broad application. H…

cond-mat.mtrl-sci2022★ 14 cited

Reproducibility of Hybrid Density Functional Calculations for Equation-of-State Properties and Band Gaps

Yuyang Ji, Peize Lin, Xinguo Ren +1

Hybrid density functional (HDF) approximations usually deliver higher accuracy than local and semilocal approximations to the exchange-correlation functional, but this comes with d…

cond-mat.mtrl-sci2022

Importance of exact exchange to the geometric and electronic structures of Cs $_{2}$ $B$ $B^{'}$ $X_{6}$ double perovskites

Yuyang Ji, Peize Lin, Xinguo Ren +1

We investigate the lead-free halide double perovskites (HDPs) Cs $_{2} B B^{'} X_{6}$ ( $B$ =Ag, Na; $B^{'}$ =In, Bi; $X$ =Cl, Br) via first-principles calculations. We find that both the geometric…

Efficient hybrid density functional calculation by deep learning

Reproducibility of Hybrid Density Functional Calculations for Equation-of-State Properties and Band Gaps

Importance of exact exchange to the geometric and electronic structures of Cs2​BB′X6​ double perovskites

Importance of exact exchange to the geometric and electronic structures of Cs $_{2}$ $B$ $B^{'}$ $X_{6}$ double perovskites