Nature

FALCON: fast active learning for machine learning potentials in atomistic and ab initio molecular dynamics simulations

The alternative text for this image may have been generated using AI. Fig. 1: Overview of the OTF-learning algorithm for a FALCON-MD simulation. The alternative text for this image may have been ...
Nature

Charting electronic-state manifolds across molecules with multi-state learning and gap-driven dynamics via efficient and robust active learning

We present a robust protocol for affordable learning of electronic states to accelerate photophysical and photochemical molecular simulations. The protocol solves several issues precluding the ...
usace.army.mil

COMMODITIZING AI/ML MODELS

An approach through Agile development and model quality simulation. The concept-development and acquisition communities have long treated artificial intelligence and machine learning (AI/ML) as ...
Visual Studio Magazine

Machine Learning for .NET Developers Starts with ML.NET and AutoML

There's no more important topic than machine learning in the developer space right now as advanced AI constructs like ChatGPT and Microsoft's "Copilot" assistants are transforming the industry. With ...