Finding high-performing catalysts, which are used to accelerate processes from chemical manufacturing to energy production, ...

(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 ...

Software simulates 370,000 steps in under 100 hours, potentially cutting demand for time on supercomputers by orders of ...

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 ...

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 ...

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 ...

Machine learning model provides quick method for determining the composition of solid chemical mixtures using only photographs of the sample. Machine learning model provides quick method for ...