-
Notifications
You must be signed in to change notification settings - Fork 18
/
NS_publications.bib
104 lines (103 loc) · 3.52 KB
/
NS_publications.bib
1
2
3
4
5
6
7
8
9
10
11
12
13
14
15
16
17
18
19
20
21
22
23
24
25
26
27
28
29
30
31
32
33
34
35
36
37
38
39
40
41
42
43
44
45
46
47
48
49
50
51
52
53
54
55
56
57
58
59
60
61
62
63
64
65
66
67
68
69
70
71
72
73
74
75
76
77
78
79
80
81
82
83
84
85
86
87
88
89
90
91
92
93
94
95
96
97
98
99
100
101
102
103
104
# Pymatnest program package and introducing Hamiltonian Monte Carlo
@article{NS_pymatnest_2017,
title={Constant Pressure Nested Sampling with Atomistic Dynamics},
author={Baldock, Robert J. N. and Noam Bernstein and K. Michael Salerno and L\'{\i}via B. P\'artay and G\'abor Cs\'anyi},
journal={Phys. Rev. E.},
volume={96},
pages={043311},
year={2017},
}
# citing the pymatnest github repository
@misc{pymatnest,
author = {Bernstein, Noam and Baldock, Robert J. N. and P\'artay, L\'{\i}via B. and Kermode, James R. and Daff, Thomas D. and Bart\'ok, Albert P. and Cs\'anyi, G\'abor },
title = {pymatnest},
year = {2016},
publisher = {GitHub},
journal = {GitHub repository},
howpublished = {\url{https://github.com/libAtoms/pymatnest}}
}
# Using NS to calculate Pressure-Temperature phase diagrams
@article{NS_PT_phase_diagram,
title = {Determining pressure-temperature phase diagrams of materials},
author = {Baldock, Robert J. N. and P\'artay, L\'{\i}via B. and Bart\'ok, Albert P. and Payne, Michael C. and Cs\'anyi, G\'abor},
journal = {Phys. Rev. B},
volume = {93},
issue = {17},
pages = {174108},
year = {2016}
}
# Nested sampling introduced for atomistic systems
@Article{first_NS_paper,
author = {L\'{\i}via B. P\'artay and Albert P. Bart\'ok and G\'abor Cs\'anyi},
journal = {J. Phys. Chem. B},
title = {Efficient Sampling of Atomic Configurational Spaces},
pages = {10502--10512},
volume = {114},
year = {2010}
}
# Review of Nested sampling applications in materials
@Article{NS_review,
author = {L\'{\i}via B. P\'artay and G\'abor Cs\'anyi and Noam Bernstein},
journal = {Eur. Phys. J. B},
title = {Nested sampling for materials},
pages = {159},
volume = {94},
year = {2021}
}
######
# further publications using nested sampling and the pymatnest package
######
# Studying the hard sphere system with nested sampling
@Article{NS_HardSphere,
author = {L\'{\i}via B. P\'artay and Albert P. Bart\'ok and G\'abor Cs\'anyi},
journal = {Phys. Rev. E},
title = {Nested sampling for materials: The case of hard spheres},
pages = {022302},
volume = {89},
year = {2014}
}
# Comparing MD and NS result sstudying a 309 atom CuPt nanocluster
@article{NS_CuPt,
title={Thermodynamics of CuPt nanoalloys},
author={K. Rossi and L. B. P\'artay and G. Cs\'anyi and F. Baletto},
journal={Scientific Reports},
volume={8},
pages={9150},
year={2018}
}
# Studying small water clusters with NS
@article{NS_water_cluster,
title={Thermodynamics and the potential energy landscape: case study of small water clusters},
author={J. Dorrell and L. B. P\'artay},
journal={Phys. Chem. Chem. Phys.},
volume={21},
pages={7305},
year={2019}
}
Comparing EAM models of iron, studied by nested sampling
@article{NS_iron,
title={On the performance of interatomic potential models of iron: Comparison of the phase diagrams},
author={L. B. P\'artay},
journal={Comp. Mat. Sci.},
volume={149},
pages={153--157},
year={2018}
}
Comparing EAM models of lithium, studied by nested sampling
@article{NS_lithium,
title={On the performance of interatomic potential models of iron: Comparison of the phase diagrams},
author={J. Dorrell and L. B. P\'artay},
journal={J. Phys. Chem. B},
volume={124},
pages={6015--6023},
year={2020}
}
# Nested sampling for constructing surface phase diagrams
@article{NS_surface,
title = {Surface Phase Diagrams from Nested Sampling},
author = {M. Yang, L. B. P\'artay and R. B. Wexler},
journal = {Phys. Chem. Chem. Phys.},
volume={26},
pages={13862-13874},
year = {2024}
}