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2212.02421
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Score-based denoising for atomic structure identification
npj Computational Materials (npj Comput. Mater.), 2022
5 December 2022
Tim Hsu
Babak Sadigh
N. Bertin
Cheol Woo Park
James Chapman
Vasily V. Bulatov
Fei Zhou
DiffM
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Papers citing
"Score-based denoising for atomic structure identification"
4 / 4 papers shown
Scaling Kinetic Monte-Carlo Simulations of Grain Growth with Combined Convolutional and Graph Neural Networks
Zhihui Tian
Ethan Suwandi
Tomas Oppelstrup
Vasily V. Bulatov
J. Harley
Fei Zhou
GNN
AI4CE
149
1
0
22 Nov 2025
Geometry Denoising with Preferred Normal Vectors
Manuel Weiß
Lukas Baumgärtner
Roland Herzog
Stephan Schmidt
83
0
0
06 Nov 2025
Molecular relaxation by reverse diffusion with time step prediction
Khaled Kahouli
Stefaan S. P. Hessmann
Klaus-Robert Muller
Shinichi Nakajima
Stefan Gugler
Niklas W. A. Gebauer
DiffM
274
9
0
16 Apr 2024
Score dynamics: scaling molecular dynamics with picoseconds timestep via conditional diffusion model
Journal of Chemical Theory and Computation (JCTC), 2023
Tim Hsu
Babak Sadigh
Vasily V. Bulatov
Fei Zhou
372
28
0
02 Oct 2023
1
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