Researchers developed a machine-learning model that can predict the structures of transition states of chemical reactions in less than a second, with high accuracy. Their model could make it easier ...

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 ...

The development of advanced methodologies in theoretical chemistry has been crucial to improve our microscopic understanding of molecular processes, not only enhancing our ability to model and predict ...

(Nanowerk News) Physicists are getting closer to controlling single-molecule chemical reactions – could this shape the future of pharmaceutical research? Controlling matter at the atomic level has ...

Chemical reactions are the breaking and forming of chemical bonds, which are fundamental to the creation of new technologies. Inevitably, discovering and developing ...

A ring of beads connected to tentacles A modeling study shows how chemical reactions can stimulate motion in simple systems, like the structure here—made of enzyme coated beads connected to ...