3 papers
cs.LG2025
Objective Value Change and Shape-Based Accelerated Optimization for the Neural Network Approximation
Pengcheng Xie, Zihao Zhou, Zijian Zhou
This paper introduce a novel metric of an objective function f, we say VC (value change) to measure the difficulty and approximation affection when conducting an neural network app…
cond-mat.mtrl-sci2025
Acceleration of shell DFT-1/2 in high-throughput calculations via cutoff radii prediction
Shanzhong Xie, Kan-Hao Xue, Zijian Zhou +1
Shell DFT-1/2 is a fast band gap rectification method that is versatile for semiconductor supercell and superlattice calculations, which involves two cutoff radii that have to be o…
cond-mat.mtrl-sci2024
On the material genome of wurtzite ferroelectrics
Zijian Zhou, Kan-Hao Xue, Jinhai Huang +5
As the dielectric film thickness shrinks to ~10 nm, some traditional wurtzite piezoelectric materials demonstrate ferroelectricity through element doping. Among them, Sc doped AlN…