A Universal Framework for Featurization of Atomistic Systems

4 February 2021

Papers citing "A Universal Framework for Featurization of Atomistic Systems"

4 / 4 papers shown

Title
Pre-training Graph Neural Networks with Structural Fingerprints for Materials Discovery Shuyi Jia Shitij Govil Manav Ramprasad Victor Fung AI4CE 64 1 0 03 Mar 2025
The Role of Reference Points in Machine-Learned Atomistic Simulation Models Xiangyun Lei Weike Ye Joseph Montoya Tim Mueller Linda Hung Jens Hummelshoej 8 0 0 28 Oct 2023
Gaussian Moments as Physically Inspired Molecular Descriptors for Accurate and Scalable Machine Learning Potentials Viktor Zaverkin Johannes Kastner 34 67 0 15 Sep 2021
The Open Catalyst 2020 (OC20) Dataset and Community Challenges L. Chanussot Abhishek Das Siddharth Goyal Thibaut Lavril Muhammed Shuaibi ... Brandon M. Wood Junwoong Yoon Devi Parikh C. L. Zitnick Zachary W. Ulissi 226 503 0 20 Oct 2020