FourPhonon_GPU published in Cell Reports Physical Science

Our paper “FourPhonon_GPU, a CPU-GPU heterogeneous computing scheme for phonon scattering and thermal conductivity calculations” is published in Cell Reports Physical Science (2026). The scheme offloads scattering-rate calculations with OpenACC and resolves warp divergence through CPU-side process filtering, achieving up to 26x overall speedup (and 400x for the four-phonon scattering-rate step) under the relaxation-time approximation. It and is released in the open-source FourPhonon package (v1.3).

• Paper: Cell Reports Physical Science · arXiv
• Media: FourPhonon simulations now 26 times faster with GPU acceleration (Purdue Mechanical Engineering)