If you use GenIce in your work, please cite as described in CITATION.cff or the papers below.
The algorithms for generating depolarized, hydrogen-disordered ice are described in:
M. Matsumoto, T. Yagasaki, and H. Tanaka, “GenIce: Hydrogen-Disordered Ice Generator”, J. Comput. Chem. 39, 61-64 (2017). DOI: 10.1002/jcc.25077
@article{Matsumoto:2017bk,
author = {Matsumoto, Masakazu and Yagasaki, Takuma and Tanaka, Hideki},
title = {GenIce: Hydrogen-Disordered Ice Generator},
journal = {Journal of Computational Chemistry},
volume = {39},
pages = {61-64},
year = {2017}
}
M. Matsumoto, T. Yagasaki, and H. Tanaka, “GenIce-core: Efficient algorithm for generation of hydrogen-disordered ice structures.”, J. Chem. Phys. 160, 094101 (2024). DOI:10.1063/5.0198056
@article{Matsumoto:2024,
author = {Matsumoto, Masakazu and Yagasaki, Takuma and Tanaka, Hideki},
title = {GenIce-core: Efficient algorithm for generation of hydrogen-disordered ice structures},
journal = {Journal of Chemical Physics},
volume = {160},
pages = {094101},
year = {2024}
}
For the full reference list (with DOI links), see References in this manual (generated from citations.yaml).