Open access
Aug 2026
Multiscale and Multi‐Timestep Switching of Multiple Machine Learning Force Fields for Artificial Intelligence‐Driven Materials Simulations
Molecular dynamics (MD) is essential for investigating atomic‐scale processes in materials and molecular systems, but the cost of high‐accuracy machine learning force field simulations still limits accessible system sizes and timescales. Here, we propose a practical model‐switching strategy for Deep Potential (DP)‐ba...
R. Kanda, Megumu Yamazaki, Yuta Yoshimoto et al.
· Advanced Intelligent Discove... · 0 citations