AIQM2 is the long-awaited successor of the highly successful AIQM1.

Physics-Informed Neural Networks and Beyond: Enforcing Physical Constraints in Quantum Dissipative Dynamics

It shortens molecular simulation time to a couple of days which could have taken weeks of pure quantum chemical calculations.

Here we make a summary of the upgrades in case you missed them!

Delta-learning is slower than pure ML models but the benefit is typically an increased robustness and accuracy.