npj Comput. Mater.: Efficient Machine Learning Protocol For Accelerating Trajectory Surface Hopping Dynamics
Our recent article in npj Computational Materials presents an efficient ML protocol for accelerating trajectory surface …
Tag: active learning
JCTC: Physics-informed active learning for accelerating quantum chemical simulations
Recently, we published a paper in JCTC about the end-to-end physics-informed active learning with data-efficient construction of machine …
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