Number of items: 8.
Dorrell, J. and Partay, L. 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: https://doi.org/10.1039/C9CP00474B
Szekeres, B., Partay, L. B. and Mátyus, E.
(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: https://doi.org/10.1021/acs.jctc.8b00368
Bartok-Partay, L.
(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: https://doi.org/10.1016/j.commatsci.2018.03.026
Rossi, K., Partay, L., Csanyi, G. and Baletto, F.
(2018)
Thermodynamics of CuPt nanoalloys.
Scientific Reports, 8.
9150.
ISSN 2045-2322
doi: https://doi.org/10.1038/s41598-018-27308-1
Baldock, R. J. N., Bernstein, N., Salerno, K. M., Partay, L. B. and Csanyi, G.
(2017)
Constant-pressure nested sampling with atomistic dynamics.
Physical Review E, 96 (4).
043311.
ISSN 1539-3755
doi: https://doi.org/10.1103/PhysRevE.96.043311
Pártay, L. B., Ortner, C., Bartók, A. P., Pickard, C. J. and Csányi, G.
(2017)
Polytypism in the ground state structure of the Lennard-Jonesium.
Physical Chemistry Chemical Physics, 19 (29).
pp. 19369-19376.
ISSN 1463-9076
doi: https://doi.org/10.1039/c7cp02923c
Baldock, R. J. N., Partay, L. B., Bartok, A. P., Payne, M. C. and Csanyi, G.
(2016)
Determining pressure-temperature phase diagrams of materials.
Physical Review B, 93.
174108.
ISSN 1098-0121
doi: https://doi.org/10.1103/PhysRevB.93.174108
Partay, L. B., Bartok, A. P. and Csanyi, G.
(2014)
Nested sampling for materials: the case of hard spheres.
Physical Review E, 89.
022302.
ISSN 1539-3755
doi: https://doi.org/10.1103/PhysRevE.89.022302
This list was generated on Fri Nov 8 22:02:03 2024 UTC.