Frequently asked questions
If your question regarding DoSPT is not fully answered in this list, please send an email to Miguel Caro (firstname.lastname@example.org), who will try to come back to you with a reply as soon as possible.
List of frequently-asked questions
How should I cite the DoSPT code?
If you publish results obtained with the DoSPT code, please add both a reference to this website (dospt.org) and at least one of the following papers (whichever is most appropriate):
Miguel A. Caro, Olga Lopez-Acevedo, and Tomi Laurila; Redox Potentials from Ab Initio Molecular Dynamics and Explicit Entropy Calculations: Application to Transition Metals in Aqueous Solution; J. Chem. Theory Comput. 13, 3432 (2017).
Miguel A. Caro, Tomi Laurila, and Olga Lopez-Acevedo; Accurate schemes for calculation of thermodynamic properties of liquid mixtures from molecular dynamics simulations; J. Chem. Phys. 145, 244504 (2016).