A Recipe for Charge Density Prediction

29 May 2024

Papers citing "A Recipe for Charge Density Prediction"

7 / 7 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 42 0 0 11 Mar 2025
E3STO: Orbital Inspired SE(3)-Equivariant Molecular Representation for Electron Density Prediction Ilan Mitnikov Joseph Jacobson 25 0 0 08 Oct 2024
Gaussian Plane-Wave Neural Operator for Electron Density Estimation Seongsu Kim Sungsoo Ahn 24 4 0 05 Feb 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
Equiformer: Equivariant Graph Attention Transformer for 3D Atomistic Graphs Yi-Lun Liao Tess E. Smidt 80 215 0 23 Jun 2022
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 206 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 232 503 0 20 Oct 2020