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Exploring Chemistry and Catalysis by Biasing Skewe by davemartines6 is a document available to read on EtoBox.
What is Exploring Chemistry and Catalysis by Biasing Skewe about?
The article presents Loxodynamics, a machine-learning approach for exploring chemical reactions by utilizing skewed probability distributions to guide molecular dynamics. This method, which employs a skewness-based loss function through an Autoencoder called Skewencoder, allows for efficient identification of low-energy reaction pathways without prior knowledge of collective variables. The authors validate Loxodynamics across various chemical reactions, demonstrating its potential to overcome limitations of
- Author
- davemartines6
- Language
- EN