Citing MolSpin

Publications related to MolSpin releases and features are listed here. Please cite the following publications when using MolSpin.

Spin Dynamics of Radical Pairs Using the Stochastic Schrödinger Equation in MolSpin
Gediminas Jurgis Pazera, Thomas P. Fay, Ilia A. Solov’yov, P. J. Hore, Luca Gerhards, Journal of Chemical Theory and Computation 20, 19, 8412–8421, (2024)

Modeling spin relaxation in complex radical systems using MolSpin
Luca Gerhards, Claus Nielsen, Daniel R. Kattnig, R. J. Hore, Ilia A. Solov'yov, Journal of Computational Chemistry 1, (2023)

MolSpin - Flexible and extensible general spin dynamics software
Claus Nielsen, Ilia A. Solov'yov, Journal of Physical Chemistry 151, 194105, (2019)