How to cite

MonteCoffee is developed at Chalmers University of Technology at the division of Chemical Physics at the group of Henrik Grönbeck. The first version was written by Mikkel Jørgensen during 2015-2019 as part of his PhD project. The code has since then developed by contributions from Noemi Bosio (since 2019) and Elisabeth M. Dietze (since 2020).

If you find MonteCoffee useful, the following journal article should be cited:

M. Jørgensen and H. Grönbeck, J. Chem. Phys. 149, 114101 (2018)

The documentation in its first version was written by Mikkel Jørgensen 2019 and since then updated by Elisabeth M. Dietze.