Invited to present at the Singapore HPC Users Symposium 2026

Our team was selected among the ten participating teams to represent the NSCC x NVIDIA Open Hackathon 2026 at the Singapore HPC Users Symposium 2026.

We presented our work on accelerating Wyckoff gene-to-structure reconstruction for crystal structure prediction. By extending NVIDIA ALCHEMI's GPU-batched geometry relaxation with in-flight dynamic batching and a symmetry-reduced optimizer, we achieved up to ~31× faster relaxation on a single NVIDIA H200 on NSCC's ASPIRE 2B supercomputer.

I am grateful for the opportunity to share our work with the HPC community in Singapore.