Electronic structure benchmark calculations of CO2 fixing elementary chemical steps in RuBisCO using the projector‐based embedding approach
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DOI: 10.1002/jcc.26380
Abstract: Ribulose 1,5‐bisphosphate carboxylase‐oxygenase (RuBisCO) is the main enzyme involved in atmospheric carbon dioxide (CO2) fixation in the biosphere. This enzyme catalyzes a set of five chemical steps that take place in the same active‐site within… read more here.
Keywords: based embedding; projector based; reaction; embedding approach ... See more keywords
Model Error Modelling using a Stochastic Embedding approach with Gaussian Mixture Models for FIR systems
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DOI: 10.1016/j.ifacol.2020.12.841
Abstract: Abstract In this paper a Maximum Likelihood estimation algorithm for error-model modelling using a stochastic embedding approach is developed. The error-model distribution is approximated by a finite Gaussian mixture. An Expectation-Maximization based algorithm is proposed… read more here.
Keywords: model; embedding approach; using stochastic; error ... See more keywords