The Open Catalyst Challenge 2021: Competition Report

Abhishek Das, Muhammed Shuaibi, Aini Palizhati, Siddharth Goyal, Aditya Grover, Adeesh Kolluru, Janice Lan, Ammar Rizvi, Anuroop Sriram, Brandon M. Wood, Devi Parikh, Zachary W. Ulissi, C. Lawrence Zitnick, Guolin Ke, Shuxin Zheng, Yu Shi, Di He, Tie-Yan Liu, Chengxuan Ying, Jiacheng You et al. (5 additional authors not shown)

Abstract: In this report, we describe the Open Catalyst Challenge held at NeurIPS 2021, focusing on using machine learning (ML) to accelerate the search for low-cost catalysts that can drive reactions conver...