Porhouy Minh, Sapna Sarupria
AIMMD is a new algorithm that uses machine learning to improve the efficiency of transition path sampling for studying molecular processes.
Researchers have developed a new algorithm called AIMMD that uses machine learning to make it easier to study how molecules transition between different states. This method enhances traditional techniques by estimating important probabilities in real-time and providing insights that are easy for humans to understand. The new approach could help scientists better understand complex molecular behaviors, although there are still some challenges and limitations to address.
