7 citations · 7 across the 3 of their papers we have counts for
3 papers
physics.chem-ph2025
A Deep Learning Framework for the Electronic Structure of Water: Towards a Universal Model
Xinyuan Liang, Renxi Liu, Mohan Chen
Accurately modeling the electronic structure of water across scales, from individual molecules to bulk liquid, remains a grand challenge. Traditional computational methods face a c…
cond-mat.mtrl-sci2024★ 7 cited
Exploring the energy landscape of aluminas through machine learning interatomic potential
Lei Zhang, Wenhao Luo, Renxi Liu +3
Aluminum oxide (alumina, AlO) exists in various structures and has broad industrial applications. While the crystal structure of -AlO is well-established, those…
cond-mat.mtrl-sci2023
Implementation of the SCAN Exchange-Correlation Functional with Numerical Atomic Orbitals
Renxi Liu, Daye Zheng, Xinyuan Liang +3
Kohn-Sham density functional theory (DFT) is nowadays widely used for electronic structure theory simulations, and the accuracy and efficiency of DFT rely on approximations of the…