Difference between revisions of "DoSPT publications"
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This is a list of publications that highlight the capabilities and/or make use of the DoSPT code. Papers by DoSPT authors are in '''bold'''. | This is a list of publications that highlight the capabilities and/or make use of the DoSPT code. Papers by DoSPT authors are in '''bold'''. | ||
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| + | == 2021 == | ||
| + | |||
| + | A. Henao, J.M. Salazar-Rios, E. Guardia, L.C. Pardo;<br /> | ||
| + | ''Structure and dynamics of water plastic crystals from computer simulations'';<br /> | ||
| + | [https://aip.scitation.org/doi/full/10.1063/5.0038762 J. Chem. Phys. 154, 104501 (2021)]. | ||
== 2020 == | == 2020 == | ||
Revision as of 16:20, 8 March 2021
This is a list of publications that highlight the capabilities and/or make use of the DoSPT code. Papers by DoSPT authors are in bold.
2021
A. Henao, J.M. Salazar-Rios, E. Guardia, L.C. Pardo;
Structure and dynamics of water plastic crystals from computer simulations;
J. Chem. Phys. 154, 104501 (2021).
2020
S. Mukherjee, B. Bagchi;
Entropic Origin of the Attenuated Width of the Ice–Water Interface;
J. Phys. Chem. C 124, 7334 (2020).
2018
S.R. Varanasi, Y. Subramanian, S.K. Bhatia;
High Interfacial Barriers at Narrow Carbon Nanotube--Water Interfaces;
Langmuir 34, 8099 (2018).
2017
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).
2016
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).
