@article{doi:10.1021/acs.jctc.2c00648,
author = {Deffner, Michael and Weise, Marc Philipp and Zhang, Haitao and Mücke, Maike and Proppe, Jonny and Franco, Ignacio and Herrmann, Carmen},
title = {Learning Conductance: Gaussian Process Regression for Molecular Electronics},
journal = {Journal of Chemical Theory and Computation},
volume = {19},
number = {3},
pages = {992-1002},
year = {2023},
doi = {10.1021/acs.jctc.2c00648},
    note ={PMID: 36692968},

URL = { 
        https://doi.org/10.1021/acs.jctc.2c00648
    
},
eprint = { 
        https://doi.org/10.1021/acs.jctc.2c00648
    
}

}