1 citations · 1 across the 3 of their papers we have counts for
3 papers
cs.LG2021★ 1 cited
Heterogeneous relational message passing networks for molecular dynamics simulations
Zun Wang, Chong Wang, Sibo Zhao +5
With many frameworks based on message passing neural networks proposed to predict molecular and bulk properties, machine learning methods have tremendously shifted the paradigms of…
cond-mat.mtrl-sci2008
Adsorption of gas molecules on graphene nanoribbons and its implication for nano-scale molecule sensor
Bing Huang, Zuanyi Li, Zhirong Liu +5
We have studied the adsorption of gas molecules (CO, NO, NO2, O2, N2, CO2, and NH3) on graphene nanoribbons (GNRs) using first principles methods. The adsorption geometries, adsorp…
cond-mat.mtrl-sci2005
Intrinsic magnetism of open boron nitride nanotubes
Shaogang Hao, Gang Zhou, Wenhui Duan +2
This paper has been withdrawn by the author due to the incomplete results.