The Library

Browse by Warwick Author

Up a level
Export as [feed] Atom [feed] RSS 1.0 [feed] RSS 2.0
Group by: Official Date | Item Type | Funder | No Grouping
Jump to: 2022 | 2021 | 2020 | 2019 | 2018 | 2017 | 2016
Number of items: 15.

2022

Marchant, George A. and Pártay, Lívia B. (2022) Nested sampling of materials’ potential energy surfaces : case study of Zirconium. In: 41st MaxEnt2022 Conference, Paris, France ; Hybrid, 18-22 Jul 2022. Published in: Physical Sciences Forum, 5 (1). doi:10.3390/psf2022005005

Bartok-Partay, Livia and Hantal, György (2022) Stability of the high-density Jagla liquid in 2D : sensitivity to parameterisation. Soft Matter, 18 (28). pp. 5261-5270. doi:10.1039/D2SM00491G

Ashton, Greg, Bernstein, Noam, Buchner, Johannes, Chen, Xi, Csányi, Gábor, Feroz, Farhan, Fowlie, Andrew, Griffiths, Matthew, Habeck, Michael, Handley, Will et al.
(2022) Nested sampling for physical scientists. Nature Reviews Methods Primers, 2 . 39. doi:10.1038/s43586-022-00121-x

2021

Bartok-Partay, Livia, Csányi, Gábor and Bernstein, Noam (2021) Nested sampling for materials. The European Physical Journal B, 94 . 159. doi:10.1140/epjb/s10051-021-00172-1

Bartók, Albert P., Hantal, György and Pártay, Lívia B. (2021) Insight into liquid polymorphism from the complex phase behavior of a simple model. Physical Review Letters, 127 (1). doi:10.1103/PhysRevLett.127.015701

Rosenbrock, Conrad W., Gubaev, Konstantin, Shapeev, Alexander V., Pártay, Lívia B., Bernstein, Noam, Csányi, Gábor and Hart, Gus L. W. (2021) Machine-learned interatomic potentials for alloys and alloy phase diagrams. npj Computational Materials, 7 (1). 24. doi:10.1038/s41524-020-00477-2

2020

Dorrell, Jordan and Pártay, Lívia B. (2020) Pressure-temperature phase diagram of lithium, predicted by embedded atom model potentials. The Journal of Physical Chemistry B, 124 (28). pp. 6015-6023. doi:10.1021/acs.jpcb.0c03882

Dorrell, Jordan and Pártay, Lívia B. (2020) Data for Pressure-temperature phase diagram of lithium, predicted by embedded atom model potentials. [Dataset]

2019

Dorrell, Jordan and Pártay, Lívia B. (2019) Thermodynamics and the potential energy landscape : case study of small water clusters. Physical Chemistry Chemical Physics, 21 (14). pp. 7305-7312. doi:10.1039/C9CP00474B

2018

Szekeres, Béla, Pártay, Lívia B. and Mátyus, Edit (2018) Direct computation of the quantum partition function by path-integral nested sampling. Journal of Chemical Theory and Computation, 14 (8). pp. 4353-4359. doi:10.1021/acs.jctc.8b00368

Bartok-Partay, Livia (2018) On the performance of interatomic potential models of iron : comparison of the phase diagrams. Computational Materials Science, 149 . pp. 153-157. doi:10.1016/j.commatsci.2018.03.026

Rossi, K., Pártay, Lívia B., Csányi, G. and Baletto, F. (2018) Thermodynamics of CuPt nanoalloys. Scientific Reports, 8 (1). 9150. doi:10.1038/s41598-018-27308-1

2017

Baldock, Robert J. N., Bernstein, Noam, Salerno, K. Michael, Pártay, Lívia B. and Csányi, Gábor (2017) Constant-pressure nested sampling with atomistic dynamics. Physical Review E, 96 (4). 043311. doi:10.1103/PhysRevE.96.043311

Pártay, Lívia B., Ortner, Christoph, Bartók, Albert P., Pickard, Chris J. and Csányi, Gábor (2017) Polytypism in the ground state structure of the Lennard-Jonesium. Physical Chemistry Chemical Physics, 19 . pp. 19369-19376. doi:10.1039/c7cp02923c

2016

Baldock, Robert J. N., Pártay, Lívia B., Bartók, Albert P., Payne, Michael C. and Csányi, Gábor (2016) Determining pressure-temperature phase diagrams of materials. Physical Review B (Condensed Matter and Materials Physics), 93 (17). 174108. doi:10.1103/PhysRevB.93.174108

This list was generated on Fri Jan 27 01:55:31 2023 GMT.