The Open Catalyst 2020 (OC20) Dataset and Community Challenges (vol 11, pg 6059, 2021)

被引:8
作者
Chanussot, Lowik [1 ]
Das, Abhishek [1 ]
Goyal, Siddharth [1 ]
Lavril, Thibaut [1 ]
Shuaibi, Muhammed [3 ]
Riviere, Morgane [1 ]
Tran, Kevin [3 ]
Heras-Domingo, Javier [3 ]
Ho, Caleb [1 ]
Hu, Weihua [4 ]
Palizhati, Aini [3 ]
Sriram, Anuroop [1 ]
Wood, Brandon [5 ]
Yoon, Junwoong [3 ]
Parikh, Devi [1 ,6 ]
Zitnick, C. Lawrence [1 ]
Ulissi, Zachary [2 ,3 ]
机构
[1] Facebook AI Res FAIR, Menlo Pk, CA 94025 USA
[2] Carnegie Mellon Univ, Scott Inst Energy Innovat, Pittsburgh, PA 15213 USA
[3] Carnegie Mellon Univ, Dept Chem Engn, Pittsburgh, PA 15213 USA
[4] Stanford Univ, Comp Sci Dept, Stanford, CA 94305 USA
[5] Natl Energy Res Sci Comp Ctr, Lawrence Berkeley Natl Lab, Berkeley, CA 94720 USA
[6] Georgia Tech, Sch Interact Comp, Atlanta, GA 30332 USA
关键词
D O I
10.1021/acscatal.1c04408
中图分类号
O64 [物理化学(理论化学)、化学物理学];
学科分类号
070304 ; 081704 ;
摘要
引用
收藏
页码:13062 / 13065
页数:4
相关论文
共 4 条
[1]  
Klicpera J, 2020, INT C LEARN REPR
[2]  
Klicpera J., ARXIV PREPRINT ARXIV
[3]  
Schutt KT, 2017, 31 ANN C NEURAL INFO, V30
[4]   Crystal Graph Convolutional Neural Networks for an Accurate and Interpretable Prediction of Material Properties [J].
Xie, Tian ;
Grossman, Jeffrey C. .
PHYSICAL REVIEW LETTERS, 2018, 120 (14)