Higher-Order Equivariant Neural Networks for Charge Density Prediction in Materials

8 December 2023

Papers citing "Higher-Order Equivariant Neural Networks for Charge Density Prediction in Materials"

4 / 4 papers shown

Title
ELECTRA: A Cartesian Network for 3D Charge Density Prediction with Floating Orbitals Jonas Elsborg Luca Thiede Alán Aspuru-Guzik Tejs Vegge Arghya Bhowmik 49 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 56 4 0 29 May 2024
E(3)-Equivariant Graph Neural Networks for Data-Efficient and Accurate Interatomic Potentials Simon L. Batzner Albert Musaelian Lixin Sun Mario Geiger J. Mailoa M. Kornbluth N. Molinari Tess E. Smidt Boris Kozinsky 233 1,240 0 08 Jan 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 232 505 0 20 Oct 2020