3 papers
physics.comp-ph2026
A joint voxel flow-phase field framework for ultra-long microstructure evolution prediction with physical regularization
Ao Zhou, Salma Zahran, Chi Chen +2
Phase-field (PF) modeling is a powerful tool for simulating microstructure evolution. To accelerate the simulation of PF models governed by complex PDEs, machine learning methods s…
cs.AI2026
EvoMD-LLM: Learning the Language of Species Evolution in Reactive Molecular Dynamics
Zhichen Tang, Zhengzheng Dang, Yulin Chen +3
While large language models (LLMs) excel at static scientific reasoning, they struggle to model the temporal structure of dynamic physical processes. We present EvoMD-LLM (Evolutio…
cond-mat.mes-hall2025
Mass-transport-limited reaction rates and molecular diffusion in the van der Waals gap beneath graphene
Hossein Mirdamadi, JiÅÃ David, Rui Wang +7
The confinement of molecules within the van der Waals (vdW) gap between a two-dimensional 2D material and a catalytic substrate offers a promising route toward the development of m…