Researchers developed a way to quickly calculate the transition state structure of a chemical reaction, using machine-learning models. During a chemical reaction, molecules gain energy until they ...

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 ...

To support chemical reaction discovery, a research team from WPI-ICReDD, led by Professor Masaharu Yoshioka and Assistant Professor Pinku Nath, have developed ChemOntology—a new artificial ...

Traditionally, chemical reactions have been described as one-line “equations” in which substrates, say A and B, convert purposefully but rigidly into a desired product, say C. Naturally, it has been ...

Hydrogen is at the heart of the transition to carbon neutrality, as both an energy carrier and a reagent for green chemistry.

Adverse drug reactions (ADRs) are a significant cause of hospital admissions and treatment discontinuation worldwide. Conventional approaches often fail to detect rare or delayed effects of medicinal ...

Undertake a design project to construct, test, and modify a device that either releases or absorbs thermal energy by chemical processes. In Chapter 5, students learned how the process of dissolving ...

Manufactured chemicals and materials are necessary for practically every aspect of daily life, from life-saving pharmaceuticals to plastics, fuels and fertilizers. Yet manufacturing these important ...