44 citations · 44 across the 1 of their papers we have counts for
2 papers
physics.comp-ph2019
Predicting charge density distribution of materials using a local-environment-based graph convolutional network
Sheng Gong, Tian Xie, Taishan Zhu +4
Electron charge density distribution of materials is one of the key quantities in computational materials science as theoretically it determines the ground state energy and practic…
cond-mat.mtrl-sci2019★ 44 cited
Giant Negative Thermal Expansion Induced by the Synergistic Effects of Ferroelectrostriction and Spin-Crossover in PbTiO3-Based Perovskites
Zhao Pan, Jun Chen, Runze Yu +18
The discovery of unusual negative thermal expansion (NTE) provides the opportunity to control the common but much desired property of thermal expansion, which is valuable not only…