3 papers
cond-mat.mtrl-sci2026
Crystal Representation in the Reciprocal Space
Osman Goni Ridwan, Hongfei Xue, Youxing Chen +2
In crystallography, a structure is typically represented by the arrangement of atoms in the direct space. Furthermore, space group symmetry and Wyckoff site notations are applied t…
cond-mat.mtrl-sci2026
Crystal Generation using the Fully Differentiable Pipeline and Latent Space Optimization
Osman Goni Ridwan, Gilles Frapper, Hongfei Xue +1
We present a materials generation framework that couples a symmetry-conditioned variational autoencoder (CVAE) with a differentiable SO(3) power spectrum objective to steer candida…
cond-mat.mtrl-sci2025
AI-Assisted Rapid Crystal Structure Generation Towards a Target Local Environment
Osman Goni Ridwan, Sylvain Pitié, Monish Soundar Raj +4
In the field of material design, traditional crystal structure prediction approaches require extensive structural sampling through computationally expensive energy minimization met…