4 citations · 4 across the 2 of their papers we have counts for
2 papers
physics.chem-ph2024★ 4 cited
Benchmarking of machine learning interatomic potentials for reactive hydrogen dynamics at metal surfaces
Wojciech G. Stark, Cas van der Oord, Ilyes Batatia +4
Simulations of chemical reaction probabilities in gas surface dynamics require the calculation of ensemble averages over many tens of thousands of reaction events to predict dynami…
physics.chem-ph2021
REANN: A PyTorch-based End-to-End Multi-functional Deep Neural Network Package for Molecular, Reactive and Periodic Systems
Yaolong Zhang, Junfan Xia, Bin Jiang
In this work, we present a general purpose deep neural network package for representing energies, forces, dipole moments, and polarizabilities of atomistic systems. This so-called…