Max Müller, Alexander Hagg, Robin Strickstrock, Marco Hülsmann, Alexander Asteroth, Karl N. Kirschner, Dirk Reith. Determining Lennard-Jones Parameters Using Multiscale Target Data through Presampling-Enhanced, Surrogate-Assisted Global Optimization. Journal of Chemical Information and Computer Sciences, 63(7):1872-1881, April 2023. [doi]
@article{MullerHSHAKR23,
title = {Determining Lennard-Jones Parameters Using Multiscale Target Data through Presampling-Enhanced, Surrogate-Assisted Global Optimization},
author = {Max Müller and Alexander Hagg and Robin Strickstrock and Marco Hülsmann and Alexander Asteroth and Karl N. Kirschner and Dirk Reith},
year = {2023},
month = {April},
doi = {10.1021/acs.jcim.2c01231},
url = {https://doi.org/10.1021/acs.jcim.2c01231},
researchr = {https://researchr.org/publication/MullerHSHAKR23},
cites = {0},
citedby = {0},
journal = {Journal of Chemical Information and Computer Sciences},
volume = {63},
number = {7},
pages = {1872-1881},
}