Papers

It's a symmetry-informed workflow that can generate complex crystal structures from limited known examples, then refine them by enforcing a target local environment (instead of relying only on expensive energy-based search). In this work, demonstrated the approach on an elemental sp² carbon case, and the same idea can be extended to other elemental structur…

I skimmed through the list of accepted papers at ICLR2026 and picked up papers that might interest people here. Most of the papers are about AI for materials, but some are about proteins, molecules, etc. I hope these are helpful to many people! Note: the list cannot be comprehensive, since >=5000 papers are accepted. Generation OXtal: An All-Atom Diffusion…