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1 result for “CH2NH2+”
Neural networks and kernel ridge regression for excited states dynamics of CH2_2NH2+_2^+: From single-state to multi-state representations and multi-property machine learning modelsphysics.chem-ph

Develops machine learning models for excited states of CH2NH2+.

problem Accurately predicting excited-state properties and couplings for CH2NH2+.
method Combines neural networks and kernel ridge regression, encoding electronic states in inputs.
result Improved accuracy in predicting excited-state properties and couplings.
excited statesCH2NH2+machine learningneural networkskernel ridge regression
2019-12-18abs ↗pdf ↗