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 ...

Researchers have developed a hybrid surrogate model for iso-octanol oxidation to iso-octanal that integrates data-driven ...

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 ...

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 ...

Polymer flooding is recommended for hydrocarbon reservoirs with high heterogeneity or a high water-oil mobility ratio since the addition of polymer to the injected water increases viscosity, plugs ...

The increasing complexity of modern chemical engineering processes presents significant challenges for timely and accurate anomaly detection. Traditional ...

Process engineers and integrators can use virtual process modeling to test alternative process schemes and architectures without relying on wafer-based testing. One important aspect of building an ...

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 ...