Difference between revisions of "DoSPT publications"
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| − | This is a list of publications that highlight the capabilities of the DoSPT code. | + | 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'''. |
| − | === 2016 | + | == 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 == | ||
| + | |||
| + | S. Mukherjee, B. Bagchi;<br /> | ||
| + | ''Entropic Origin of the Attenuated Width of the Ice–Water Interface'';<br /> | ||
| + | [https://pubs.acs.org/doi/abs/10.1021/acs.jpcc.0c02030 J. Phys. Chem. C 124, 7334 (2020)]. | ||
| + | |||
| + | == 2018 == | ||
| + | |||
| + | S.R. Varanasi, Y. Subramanian, S.K. Bhatia;<br /> | ||
| + | ''High Interfacial Barriers at Narrow Carbon Nanotube--Water Interfaces'';<br /> | ||
| + | [https://pubs.acs.org/doi/abs/10.1021/acs.langmuir.8b00616 Langmuir 34, 8099 (2018)]. | ||
| + | |||
| + | == 2017 == | ||
| + | |||
| + | '''Miguel A. Caro, Olga Lopez-Acevedo, and Tomi Laurila''';<br /> | ||
| + | ''Redox Potentials from Ab Initio Molecular Dynamics and Explicit Entropy Calculations: Application to Transition Metals in Aqueous Solution''; <br /> | ||
| + | [http://pubs.acs.org/doi/abs/10.1021/acs.jctc.7b00314 J. Chem. Theory Comput. 13, 3432 (2017)]. | ||
| + | |||
| + | == 2016 == | ||
'''Miguel A. Caro, Tomi Laurila, and Olga Lopez-Acevedo''';<br /> | '''Miguel A. Caro, Tomi Laurila, and Olga Lopez-Acevedo''';<br /> | ||
''Accurate schemes for calculation of thermodynamic properties of liquid mixtures from molecular dynamics simulations'';<br /> | ''Accurate schemes for calculation of thermodynamic properties of liquid mixtures from molecular dynamics simulations'';<br /> | ||
[http://aip.scitation.org/doi/pdf/10.1063/1.4973001 J. Chem. Phys. 145, 244504 (2016)]. | [http://aip.scitation.org/doi/pdf/10.1063/1.4973001 J. Chem. Phys. 145, 244504 (2016)]. | ||
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).
