Towards Combinatorial Generalization for Catalysts: A Kohn-Sham Charge-Density Approach

28 October 2023

Papers citing "Towards Combinatorial Generalization for Catalysts: A Kohn-Sham Charge-Density Approach"

3 / 3 papers shown

Title
A Recipe for Charge Density Prediction Xiang Fu Andrew S. Rosen Kyle Bystrom Rui Wang Albert Musaelian Boris Kozinsky Tess E. Smidt Tommi Jaakkola 39 5 0 29 May 2024
Spherical Channels for Modeling Atomic Interactions C. L. Zitnick Abhishek Das Adeesh Kolluru Janice Lan Muhammed Shuaibi Anuroop Sriram Zachary W. Ulissi Brandon M. Wood 79 57 0 29 Jun 2022
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 218 498 0 20 Oct 2020