The DOI matches its Crossref record; 52 of the 52 references it cites were found in a registry or an index.
Development of a “First-Principles” Water Potential with Flexible Monomers. III. Liquid Phase Properties
Abstract
The MB-pol full-dimensional water potential introduced in the first two papers of this series [J. Chem. Theory Comput. 2013, 9, 5395 and J. Chem. Theory Comput. 2014, 10, 1599] is employed here in classical and quantum simulations of liquid water under ambient conditions. Comparisons with the available experimental data for several structural, thermodynamic, and dynamical properties indicate that MB-pol provides a highly accurate description of the liquid phase. Combined with previous analyses of the dimer vibration-rotation tunneling spectrum, second and third virial coefficients, and cluster structures and energies, the present results demonstrate that MB-pol represents a major step toward the long-sought "universal model" capable of describing the properties of water from the gas to the condensed phases.
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Gaussian approximation potentials: A brief tutorial introduction
Bartók, A. P., & Csányi, G. (2015) · International Journal of Quantum Chemistry · doi:10.1002/qua.24927 · Cited by 617
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Symmetry-Adapted Machine Learning for Tensorial Properties of Atomistic Systems
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Accurate molecular polarizabilities with coupled cluster theory and machine learning
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Nguyen, T. T., Székely, E., Imbalzano, G., Behler, J., Csányi, G., Ceriotti, M., Götz, A. W., & Paesani, F. (2018) · The Journal of Chemical Physics · doi:10.1063/1.5024577 · Cited by 171
Self-citation
Metadata
- Authors
- Medders, G. R., Babin, V., & Paesani, F.
- Venue
- Journal of Chemical Theory and Computation
- Publisher
- American Chemical Society (ACS)
- Published
- 2014-07-08
- Volume
- 10
- Issue
- 8
- Pages
- 2906-2910
- ISSN
- 1549-9618 (ISSN-L)
- 1549-9626
- OpenAlex
- W2312528888
- Cited by
- 435
- References
- 52
- FWCI
- 12.48
- Type
- journal article
- Language
- en
- Open access
- closed
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Contains information from the Semantic Scholar Academic Graph Datasets, made available under the ODC Attribution License (ODC-BY 1.0).
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