Self-Consistency Training for Density-Functional-Theory Hamiltonian Prediction

14 March 2024

Siyuan Liu

Papers citing "Self-Consistency Training for Density-Functional-Theory Hamiltonian Prediction"

3 / 3 papers shown

Title
KineticNet: Deep learning a transferable kinetic energy functional for orbital-free density functional theory Roman Remme Tobias Kaczun Maximilian Scheurer A. Dreuw Fred Hamprecht 27 9 0 08 May 2023
Equiformer: Equivariant Graph Attention Transformer for 3D Atomistic Graphs Yi-Lun Liao Tess E. Smidt 75 213 0 23 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 221 503 0 20 Oct 2020