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cond-mat.mtrl-sci2026
DynaCrys: Crystal Generation with Dynamic Space-Group Diffusion
Zhuotao Jin, Xiaoyun Wang, Nicholas Brawand +5
The search for new crystalline materials spans an enormous compositional and structural space. Generating candidates in this space requires jointly modeling discrete crystallograph…
cond-mat.mtrl-sci2025
Magnetothermal Properties with Sampled Effective Local Field Estimation
Nicholas Brawand, Nima Leclerc, Emiko Zumbro
We introduce a first-principles method for predicting the magnetothermal properties of solid-state materials, which we call Sampled Effective Local Field Estimation. This approach…