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Items where Author is "Bartok-Partay, Dr Livia"

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Dorrell, Jordan and Partay, Livia B. (2019) Thermodynamics and the potential energy landscape: case study of small water clusters. Physical Chemistry Chemical Physics, 21. pp. 7305-7312. ISSN 1463-9076 doi:

Szekeres, Béla, Partay, Livia 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. 4353-4259. ISSN 1549-9626 doi:

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. ISSN 0927-0256 doi:

Rossi, Kevin, Partay, Livia, Csanyi, Gabor and Baletto, Francesca (2018) Thermodynamics of CuPt nanoalloys. Scientific Reports, 8. 9150. ISSN 2045-2322 doi:

Baldock, Robert J. N., Bernstein, Noam, Salerno, K. Michael, Partay, Livia B. and Csanyi, Gabor (2017) Constant-pressure nested sampling with atomistic dynamics. Physical Review E, 96 (4). 043311. ISSN 1539-3755 doi:

Pártay, Livia 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 (29). pp. 19369-19376. ISSN 1463-9076 doi:

Baldock, Robert J. N., Partay, Livia B., Bartok, Albert P., Payne, Michael C. and Csanyi, Gabor (2016) Determining pressure-temperature phase diagrams of materials. Physical Review B, 93. 174108. ISSN 1098-0121 doi:

Partay, Livia B., Bartok, Albert P. and Csanyi, Gabor (2014) Nested sampling for materials: the case of hard spheres. Physical Review E, 89. 022302. ISSN 1539-3755 doi:

This list was generated on Thu Sep 28 12:49:29 2023 UTC.

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