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High-order Equivariant Flow Matching for Density Functional Theory Hamiltonian Prediction

High-order Equivariant Flow Matching for Density Functional Theory Hamiltonian Prediction

24 May 2025
Seongsu Kim
N. Kim
Dongwoo Kim
SungSoo Ahn
ArXiv (abs)PDFHTML

Papers citing "High-order Equivariant Flow Matching for Density Functional Theory Hamiltonian Prediction"

2 / 2 papers shown
Title
Enhancing the Scalability and Applicability of Kohn-Sham Hamiltonians for Molecular Systems
Enhancing the Scalability and Applicability of Kohn-Sham Hamiltonians for Molecular Systems
Yunyang Li
Zaishuo Xia
Lin Huang
Xinran Wei
Han Yang
...
Zun Wang
Chang-Shu Liu
Jia Zhang
Jia Zhang
Mark B. Gerstein
155
3
0
26 Feb 2025
MOFFlow: Flow Matching for Structure Prediction of Metal-Organic Frameworks
MOFFlow: Flow Matching for Structure Prediction of Metal-Organic Frameworks
N. Kim
Seongsu Kim
Minsu Kim
Jinkyoo Park
Sungsoo Ahn
AI4CE
132
4
0
07 Oct 2024
1