23 citations · 46 across the 8 of their papers we have counts for
8 papers
Performance assessment of the effective core potentials under the Fermionic neural network: first and second row elements
Mengsa Wang, Yuzhi Zhou, Han Wang
The rapid development of deep learning techniques has driven the emergence of a neural network-based variational Monte Carlo method (referred to as FermiNet), which has manifested…
Localization in the Incommensurate Systems: A Plane Wave Study via Effective Potentials
Ting Wang, Yuzhi Zhou, Aihui Zhou
In this paper, we apply the effective potentials in the localization landscape theory (Filoche et al., 2012, Arnold et al., 2016) to study the spectral properties of the incommensu…
An extended plane wave framework for the electronic structure calculations of twisted bilayer material systems
Xiaoying Dai, Aihui Zhou, Yuzhi Zhou
In this paper, we propose an extended plane wave framework to make the electronic structure calculations of the twisted bilayer 2D material systems practically feasible. Based on t…
Convergence of the Planewave Approximations for Quantum Incommensurate Systems
Ting Wang, Huajie Chen, Aihui Zhou +2
Incommensurate structures arise from stacking single layers of low-dimensional materials on top of one another with misalignment such as an in-plane twist in orientation. While the…
Layer-splitting methods for time-dependent Schrödinger equations of incommensurate systems
Ting Wang, Huajie Chen, Aihui Zhou +1
This work considers numerical methods for the time-dependent Schrödinger equation of incommensurate systems. By using a plane wave method for spatial discretization, the incommensu…
A plane wave study on the localized-extended transitions in the one-dimensional incommensurate systems
Huajie Chen, Aihui Zhou, Yuzhi Zhou
Based on our recently proposed plane wave framework, we theoretically study the localized-extended transition in the one dimensional incommensurate systems with cosine type of pote…
Plane Wave Methods for Quantum Eigenvalue Problems of Incommensurate Systems
Yuzhi Zhou, Huajie Chen, Aihui Zhou
We propose a novel numerical algorithm for computing the electronic structure related eigenvalue problem of incommensurate systems. Unlike the conventional practice that approximat…
Applicability of Kerker preconditioning scheme to the self-consistent density functional theory calculations of inhomogeneous systems
Yuzhi Zhou, Han Wang, Yu Liu +2
Kerker preconditioner, based on the dielectric function of homogeneous electron gas, is designed to accelerate the self-consistent field (SCF) iteration in the density functional t…