(Nanowerk News) Researchers from Carnegie Mellon University and Los Alamos National Laboratory have used machine learning to create a model that can simulate reactive processes in a diverse set of ...

In this workflow, nanoreactor simulations automatically sample reactive chemical space without relying on human intuition. The nanoreactor is a special class of atomistic simulations in which chemical ...

The manufacturing process for personalized T-cell therapies hardly begins before it stalls. Why? Right at the start, there is a severe bottleneck: the need to identify patient-derived, tumor-reactive ...

(Nanowerk News) What exactly happens at the tiny scale at which individual atoms exist and interact? SMU chemist Elfi Kraka and her colleagues have been working on developing a computational tool ...

Researchers have used machine learning to create a model that simulates reactive processes in organic materials and conditions. Researchers from Carnegie Mellon University and Los Alamos National ...

A simulation demonstrates the reactions that the ANI-1xnr can produce. ANI-1xnr can simulate reactive processes for organic materials, such as as carbon, using less computing power and time than ...