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

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 ...

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

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 ...

Chemists have created a machine learning tool that can identify the chemical composition of dried salt solutions from an image with 99% accuracy. By using robotics to prepare thousands of samples and ...