Heterogeneous relational message passing networks for molecular dynamics simulations

2 September 2021

Papers citing "Heterogeneous relational message passing networks for molecular dynamics simulations"

3 / 3 papers shown

Title
Transferable E(3) equivariant parameterization for Hamiltonian of molecules and solids Yang Zhong Hongyu Yu Mao Su X. Gong H. Xiang 36 36 0 28 Oct 2022
Sketch of a novel approach to a neural model G. Scheler 15 0 0 14 Sep 2022
Symmetry-adapted graph neural networks for constructing molecular dynamics force fields Zun Wang Chong Wang Sibo Zhao Shiqiao Du Yong Xu B. Gu W. Duan AI4CE 27 14 0 08 Jan 2021