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 ...
The Journal of Chemical Information and Modeling publishes papers reporting new methodology and/or important applications in the fields of chemical informatics and molecular modeling. Specific topics ...
A research team affiliated with UNIST has reported a new simulation tool to better understand how liquid-phase chemical ...
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 present a new generative AI model that can simultaneously design catalyst structures and predict their performance under specific reaction conditions. CatDRX is a generative AI framework ...
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 ...
AZoSensors on MSN
AI maps heat inside steelmaking’s critical sintering process beds
The Temporal Fusion Transformer model provides near-real-time insights into sintering temperatures, addressing critical challenges in steelmaking processes.
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