Difference between revisions of "DoSPT publications"
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== 2021 == | == 2021 == | ||
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| + | '''H. Muhli, X. Chen, A.P. Bartók, P. Hernández-León, G. Csányi, T. Ala-Nissila, M.A. Caro''';<br /> | ||
| + | ''Machine learning force fields based on local parametrization of dispersion interactions: Application to the phase diagram of C<sub>60</sub>'';<br /> | ||
| + | [https://arxiv.org/abs/2105.02525 arXiv preprint arXiv:2105.02525]. | ||
A. Henao, J.M. Salazar-Rios, E. Guardia, L.C. Pardo;<br /> | A. Henao, J.M. Salazar-Rios, E. Guardia, L.C. Pardo;<br /> | ||
Revision as of 11:23, 26 May 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
H. Muhli, X. Chen, A.P. Bartók, P. Hernández-León, G. Csányi, T. Ala-Nissila, M.A. Caro;
Machine learning force fields based on local parametrization of dispersion interactions: Application to the phase diagram of C60;
arXiv preprint arXiv:2105.02525.
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).
