Correcting Differences with Machine Learning
In our recent study, we propose using machine learning (ML) to correct differences in properties calculated …
Semiempirical Methods
Machine Learning of Semiempirical Parameters
We propose using machine learning (ML) for improving semiempirical Hamiltonian. Given sufficiently large training set ML …
The Unrestricted Local Properties
Did you know that the reactivity of alkyl radicals towards H-abstraction is related to their electron …