2 citations · 2 across the 6 of their papers we have counts for
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The WEST code for large-scale excited-state materials simulations
Victor Wen-zhe Yu, Siyuan Chen, Yu Jin +5
We present WEST, an open-source plane-wave pseudopotential code for large-scale excited-state materials simulations, and describe its theoretical foundations, software architecture…
Computational study of indium oxide photoelectrodes
Matthew Bousquet, Jiawei Zhan, Chunxin Luo +3
Using a combination of first principles molecular dynamics simulations (FPMD) and electronic structure calculations, we characterize the atomistic structure and vibrational propert…
Dielectric-Dependent Range-Separated Hybrid Functional Calculations for Metal Oxides
Jiawei Zhan, Marco Govoni, Giulia Galli
Recently, we introduced the screened-exchange range-separated hybrid (SE-RSH) functional to account for spatially dependent dielectric screening in complex materials. The SE-RSH fu…
Nonempirical Range-Separated Hybrid Functional with Spatially Dependent Screened Exchange
Jiawei Zhan, Marco Govoni, Giulia Galli
Electronic structure calculations based on Density Functional Theory have successfully predicted numerous ground state properties of a variety of molecules and materials. However,…