Evaluating the thermal stability of chemicals and systems: A review

G Andriani, G Pio, E Salzano… - … Canadian Journal of …, 2024 - Wiley Online Library
In the realm of chemical processing, particularly at the industrial scale, safety is of utmost
importance. A predominant factor causing accidents within the chemical industry is runaway …

Minimizing Redundancy and Data Requirements of Machine Learning Potential: A Case Study in Interface Combustion

X Chang, D Zhang, Q Chu, D Chen - Journal of Chemical Theory …, 2024 - ACS Publications
The machine learning potential has emerged as a promising approach for addressing the
accuracy-versus-efficiency dilemma in molecular modeling. Efficiently exploring chemical …