Computational Chemistry is the study of complex chemical problems using a combination of computer simulations, chemistry theory and information science. Also called cheminformatics, this field enables ...

ChemELLM, a 70-billion-parameter LLM tailored for chemical engineering, outperforms leading LLMs (e.g., Deepseek-R1) on ChemEBench across 101 tasks, trained on ChemEData’s 19 billion pretraining and 1 ...

Researchers have discovered a new way to drive chemical reactions that could generate a wide variety of azetidines -- four-membered nitrogen heterocycles that have desirable pharmaceutical properties.

The LACG intelligent modeling architecture integrates three specially designed deep learning modules based on underlying logics to learn different driving forces of actual chemical processes ...

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 ...

Dow, Inc., one of the largest material science companies in the world, has been at the front of a digital transformation before the term was in common usage. The company had a RFID center of ...

Semiconductor process engineers would love to develop successful process recipes without the guesswork of repeated wafer testing. Unfortunately, developing a successful process can’t be done without ...

In response to the rising focus on sustainable manufacturing practices and corporate social responsibility, there has been a surge of interest in adopting environmentally friendly and green chemicals ...