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"

4 / 4 papers shown

Title
ELECTRA: A Cartesian Network for 3D Charge Density Prediction with Floating Orbitals Jonas Elsborg Luca Thiede Alán Aspuru-Guzik T. Vegge Arghya Bhowmik 44 0 0 11 Mar 2025
A Recipe for Charge Density Prediction Xiang Fu Andrew S. Rosen Kyle Bystrom Rui Wang Albert Musaelian Boris Kozinsky Tess E. Smidt Tommi Jaakkola 53 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 58 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 232 504 0 20 Oct 2020