Constructing Accurate and Efficient General-Purpose Atomistic Machine Learning Model with Transferable Accuracy for Quantum Chemistry

Yicheng Chen, Wenjie Yan, Zhanfeng Wang, Jianming Wu, Xin Xu

Keywords: quantum chemistry; equivariant neural network; atomistic machine learning

Confirmation Of Submission Requirements: I submit a previously published paper. It was published in an archival peer–reviewed venue on or after September 8th 2024, I specify the DOI in the field below, and I submit the camera-ready version of the paper.

DOI: https://doi.org/10.1021/acs.jctc.4c01151

Submission Number: 7