New forms of fentanyl are created every day. For law enforcement, that poses a challenge: How do you identify a chemical you've never seen before? Researchers at Lawrence Livermore National Laboratory ...

In recent years, the integration of machine learning and robotics technologies in chemical analysis has transformed the landscape of scientific research and industry practices. This revolution is not ...

A web application for use by experimental chemists created by us. Uploading a file calculated with commercially available software, and the electronic state can be analyzed. We are working on creating ...

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 ...

Chemical engineering researchers have a powerful new tool at their disposal: active machine learning. In a recent perspective article published in Engineering, Kevin M. Van Geem’s research team at ...

The world is awash with news about artificial intelligence tools, including those intended to help chemists. But are the tools useful, a threat, or even worth the attention? It’s hard to know, ...

The Chemical Sciences Roundtable (CSR) explores cutting-edge topics to inform and advance the fields of chemistry and chemical engineering. We foster collaboration among experts from government, ...

In an interview with Technology Networks, Dr. Daniel Reker discusses how machine learning is improving data-scarce areas of drug discovery.