Search Results for author: Teerachote Pakornchote

Found 2 papers, 1 papers with code

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Diffusion probabilistic models enhance variational autoencoder for crystal structure generative modeling

no code implementations • 4 Aug 2023 • Teerachote Pakornchote, Natthaphon Choomphon-anomakhun, Sorrjit Arrerut, Chayanon Atthapak, Sakarn Khamkaeo, Thiparat Chotibut, Thiti Bovornratanaraks

The energy differences between these structures and the true ground states are, on average, 68. 1 meV/atom lower than those generated by the original CDVAE.

 
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StrainTensorNet: Predicting crystal structure elastic properties using SE(3)-equivariant graph neural networks

1 code implementation • 22 Jun 2023 • Teerachote Pakornchote, Annop Ektarawong, Thiparat Chotibut

Accurately predicting the elastic properties of crystalline solids is vital for computational materials science.

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