Computational Chemistry | Materials Science Machine-Learning-Based Interatomic Potentials for Group IIB to VIA Semiconductors: Toward a Universal Model. June 20, 2024
Chemistry | Engineering | Materials Science A universal graph deep learning interatomic potential for the periodic table. January 4, 2024
Material Science | Thermophysics Active learning prediction and experimental confirmation of atomic structure and thermophysical properties for liquid Hf_{76}W_{24} refractory alloy. December 20, 2023
Engineering | Materials Science High-Accuracy Neural Network Interatomic Potential for Silicon Nitride. April 28, 2023
Chemistry | Materials Science Fast uncertainty estimates in deep learning interatomic potentials. April 27, 2023
Computational Physics | Materials Science Machine learning interatomic potentials for aluminium: application to solidiļ¬cation phenomena. October 27, 2022
Chemistry | Materials Science | Physics E(3)-equivariant graph neural networks for data-efficient and accurate interatomic potentials. July 16, 2022
Computational Chemistry | Physics NewtonNet: a Newtonian message passing network for deep learning of interatomic potentials and forces. June 30, 2022