Frequently asked questions

From DoSPT
Revision as of 07:12, 8 August 2017 by Miguel Caro (talk | contribs) (How should I cite the DoSPT code?)
(diff) ← Older revision | Latest revision (diff) | Newer revision → (diff)
Jump to: navigation, search

If your question regarding DoSPT is not fully answered in this list, please send an email to Miguel Caro (, 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 ( 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).