How to cite

If you are using the SHARC code, please cite the following references.
For the SHARC4.0 package:

  • S. Mai, B. Bachmair, L. Gagliardi, H. G. Gallmetzer, L. Grünewald, M. R. Hennefarth, N. M. Høyer, F. A. Korsaye, S. Mausenberger, M. Oppel, T. Piteša, S. Polonius, E. Sangiogo Gil, Y. Shu, N. K. Singer, M. X. Tiefenbacher, D. G. Truhlar, D. Vörös, L. Zhang, L. González
    SHARC4.0: Surface Hopping Including Arbitrary Couplings – Program Package for Non-Adiabatic Dynamics,
    https://sharc-md.org/ (2025). DOI: 10.5281/zenodo.15496427

Please also do not forget to cite the reference, where the SHARC package is described:

Citations for specific methods can be found on page Publications containing SHARC

For your convenience, please find the references below in different formats.

BibTex:
 @MISC{SHARC4.0,
author = {Sebastian Mai and Brigitta Bachmair and Laura Gagliardi and Hans Georg Gallmetzer and Lorenz Gr\”unewald and Matthew R. Hennefarth and Nicolai Machholdt H\o{}yer and Feven A.\ Korsaye and Sascha Mausenberger and Markus Oppel and Tomislav Pite\v{s}a and Severin Polonius and Eduarda Sangiogo Gil and Yinan Shu and Nadja K. Singer and Maximilian X. Tiefenbacher and Donald G. Truhlar and D\’ora V\”or\”os and Linyao Zhang and Leticia Gonz\’alez},
howpublished = {https://sharc-md.org/},
title = {{SHARC4.0}: Surface Hopping Including Arbitrary Couplings — Program Package for Non-Adiabatic Dynamics},
year = {2025},
doi = {10.5281/zenodo.15496427},
}

@Article{Mai2018WCMS,
Title = {Nonadiabatic Dynamics: The SHARC Approach},
Author = {Sebastian Mai and Philipp Marquetand and Leticia Gonz\’alez},
Journal = {WIREs Comput. Mol. Sci.},
Year = {2018},
Volume = {8},
Pages = {e1370},
Doi = {10.1002/wcms.1370},
Keywords = {ab initio molecular dynamics, excited states, nonadiabatic dynamics, surface hopping, SHARC},
Url = {http://dx.doi.org/10.1002/wcms.1370}
}

RIS:
TY – GEN
TI – SHARC4.0: Surface Hopping Including Arbitrary Couplings — Program Package for Non-Adiabatic Dynamics
AU – Mai, Sebastian
AU – Bachmair, Brigitta
AU – Gagliardi, Laura
AU – Gallmetzer, Hans Georg
AU – Grünwald, Lorenz
AU – Hennefarth, Matthew R.
AU – Høyer, Nicolai Machholdt
AU – Korsaye, Feven A.
AU – Mausenberger, Sascha
AU – Oppel, Markus
AU – Piteša, Tomislav
AU – Polonius, Severin
AU – Sangiogo Gil, Eduarda
AU – Shu, Yinan
AU – Singer, Nadja K.
AU – Tiefenbacher, Maximilian X.
AU – Truhlar, Donald G.
AU – Vörös, Dóra
AU – Zhang, Linyao
AU – González, Leticia
PY – 2025
UR – https://sharc-md.org/
DO – 10.5281/zenodo.15496427
ER –

TY – JOUR
AU – Mai, Sebastian
AU – Marquetand, Philipp
AU – González, Leticia
T1 – Nonadiabatic Dynamics: The SHARC Approach
JO – WIREs Comput. Mol. Sci.
Y1 – 2018
VL – 8
SP – e1370
EP –
UR – http://dx.doi.org/10.1002/wcms.1370
M3 – 10.1002/wcms.1370
KW – ab initio molecular dynamics
KW – excited states
KW – surface hopping
KW – nonadiabatic dynamics
KW – SHARC