Shintaro Izumi

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...