-
Notifications
You must be signed in to change notification settings - Fork 5
Expand file tree
/
Copy pathreferences.bib
More file actions
306 lines (259 loc) · 8.83 KB
/
references.bib
File metadata and controls
306 lines (259 loc) · 8.83 KB
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
105
106
107
108
109
110
111
112
113
114
115
116
117
118
119
120
121
122
123
124
125
126
127
128
129
130
131
132
133
134
135
136
137
138
139
140
141
142
143
144
145
146
147
148
149
150
151
152
153
154
155
156
157
158
159
160
161
162
163
164
165
166
167
168
169
170
171
172
173
174
175
176
177
178
179
180
181
182
183
184
185
186
187
188
189
190
191
192
193
194
195
196
197
198
199
200
201
202
203
204
205
206
207
208
209
210
211
212
213
214
215
216
217
218
219
220
221
222
223
224
225
226
227
228
229
230
231
232
233
234
235
236
237
238
239
240
241
242
243
244
245
246
247
248
249
250
251
252
253
254
255
256
257
258
259
260
261
262
263
264
265
266
267
268
269
270
271
272
273
274
275
276
277
278
279
280
281
282
283
284
285
286
287
288
289
290
291
292
293
294
295
296
297
298
299
300
301
302
303
304
305
@article{amsler_flame_2019,
title={{FLAME}: a library of atomistic modeling environments},
author={M. Amsler and Rostami, S. and Tahmasbi, H. and Rahmatizad, E. and Faraji, S. and Rasoulkhani, R. and Ghasemi, S. A.},
journal={Comput. Phys. Commun.},
volume={xxx},
number={xxx},
pages={xxx},
year={2019},
publisher={Elsevier}
}
@article{ghasemi_energy_2010,
title = {Energy landscape of silicon systems and its description by force fields, tight binding schemes, density functional methods, and quantum Monte Carlo methods},
author = {Ghasemi, S. A. and Amsler, M. and Hennig, R. G. and Roy, S. and Goedecker, S. and Lenosky, T. J. and Umrigar, C. J. and Genovese, L. and Morishita, T. and Nishio, K.},
journal = {Phys. Rev. B},
volume = {81},
issue = {21},
pages = {214107},
numpages = {12},
year = {2010},
month = {Jun},
doi = {10.1103/PhysRevB.81.214107}
}
@article{Rostami2016,
author = {Rostami, S. and Ghasemi, S. A. and Nedaaee, O. E.},
journal = {J. Chem. Phys.},
volume = {145},
pages = {124118},
title = {A highly accurate and efficient algorithm for electrostatic interactions of charged particles confined by parallel metallic plates},
doi = "10.1063/1.4963667",
year = {2016}
}
@ARTICLE{goedecker_minima_2004,
author = "S. Goedecker",
title = "Minima hopping: An efficient search method for the global minimum of the potential energy surface of complex molecular systems",
year = "2004",
journal = " J. Chem. Phys.",
volume = "120",
doi = "10.1063/1.1724816",
pages = "9911"
}
@ARTICLE{amsler_2010_crystal,
author = "M. Amsler and S. Goedecker",
title = "Crystal structure prediction using the minima hopping method",
year = "2010",
journal = "J. Chem. Phys.",
volume = "133",
doi = "10.1063/1.3512900",
pages = "224104"
}
@incollection{amsler_minima_2018,
address = {Cham},
title = {Minima {Hopping} {Method} for {Predicting} {Complex} {Structures} and {Chemical} {Reaction} {Pathways}},
isbn = {978-3-319-50257-1},
language = {en},
urldate = {2018-12-31},
booktitle = {Handbook of {Materials} {Modeling}: {Applications}: {Current} and {Emerging} {Materials}},
publisher = {Springer International Publishing},
author = {Amsler, M.},
editor = {Andreoni, Wanda and Yip, Sidney},
year = {2018},
doi = {10.1007/978-3-319-50257-1_77-1},
keywords = {Superconductivity, Molecular dynamics, Crystal, Chemical reaction, Cluster, Energy landscape, Energy materials, High pressure, Optimization, Structure prediction, Transition state},
pages = {1--20}
}
@ARTICLE{ghasemi_interatomic_2015,
author = "S. A. Ghasemi and A. Hofstetter and S. Saha and S. Goedecker",
title = "Interatomic potentials for ionic systems with density functional accuracy based on charge densities obtained by a neural network",
year = "2015",
journal = "Phys. Rev. B",
volume = "92",
pages = "045131",
doi = {10.1103/PhysRevB.92.045131}
}
@article{ghasemi_an_2011,
author = {Ghasemi, S. A. and Goedecker, S.},
title = {An enhanced splined saddle method},
journal = {J. Chem. Phys.},
volume = {135},
pages = {014108},
doi = {10.1063/1.3605539},
year = {2011}
}
@article{schaefer_minima_2014,
author = {Schaefer, B. and Mohr, S. and Amsler, M. and Goedecker, S.},
title = {Minima hopping guided path search: An efficient method for finding complex chemical reaction pathways},
journal = {J. Chem. Phys.},
volume = {140},
pages = {9901},
doi = {10.1063/1.4878944},
year = {2014}
}
@article{schaefer_stabilized_2015,
author = {Schaefer, B. and Ghasemi,S. A. and Roy, S. and Goedecker, S. },
title = {Stabilized quasi-Newton optimization of noisy potential energy surfaces},
journal = {J. Chem. Phys.},
volume = {142},
number = {3},
pages = {034112},
year = {2015},
doi = {10.1063/1.4905665},
}
}
@Article{sadeghi_metrics_2013,
Title = {{M}etrics for measuring distances in configuration spaces.},
Author = {Sadeghi, A. and Ghasemi, S. A. and Schaefer, B and Mohr, S. and Lill, M. A. and Goedecker, S.},
journal = {J. Chem. Phys.},
Year = {2013},
Month = nov,
Number = {18},
Pages = {184118},
Volume = {139},
Doi = {10.1063/1.4828704},
}
@ARTICLE{li_fingerprint_2016,
title = {A fingerprint based metric for measuring similarities of crystalline structures},
volume = {144},
journal = {J. Chem. Phys.},
author = {Zhu, L. and Amsler, M. and Fuhrer, T. and
Schaefer, B. and Faraji, S. and Rostami, S. and
Ghasemi, S. A. and Sadeghi, A. and Grauzinyte, M. and
Wolverton, C. and Goedecker, S.},
doi = {10.1063/1.4940026},
year = {2016},
pages = {034203}
}
@ARTICLE{ghasemi_particle_2007,
author = "S. A. Ghasemi and A. Neelov and S. Goedecker",
year = "2007",
title = "A particle-particle, particle-density algorithm for the calculation of electrostatic interactions of particles with slablike geometry",
journal = "J. Chem. Phys",
volume = "127",
doi = {10.1063/1.2804382},
pages = "224102"
}
@article{bitzek_structurel_2006,
title = {Structural Relaxation Made Simple},
author = {Bitzek, E. and Koskinen, P. and G\"ahler, F. and Moseler, M. and Gumbsch, P.},
journal = {Phys. Rev. Lett.},
volume = {97},
issue = {17},
pages = {170201},
numpages = {4},
year = {2006},
month = {Oct},
doi = {10.1103/PhysRevLett.97.170201},
}
@misc{Espresso,
title = {{Quantum Espresso}},
howpublished = {\url{https://www.quantum-espresso.org}},
note = {Online, accessed: 2019-09-30}
}
@misc{Tinker,
title = {{Tinker}},
howpublished = {\url{https://dasher.wustl.edu/tinker}},
note = {Online, accessed: 2019-09-30}
}
@misc{Mopac,
title = {{Mopac}},
howpublished = {\url{http://openmopac.net}},
note = {Online, accessed: 2019-09-30}
}
@misc{Dftb,
title = {{DFTB+}},
howpublished = {\url{http://www.dftbplus.org}},
note = {Online, accessed: 2019-09-30}
}
@misc{Bigdft,
title = {{BigDFT}},
howpublished = {\url{http://bigdft.org/}},
note = {Online, accessed: 2019-09-30}
}
@misc{Vasp,
title = {{VASP}},
howpublished = {\url{https://www.vasp.at}},
note = {Online, accessed: 2019-09-30}
}
@misc{Abinit,
title = {{Abinit}},
howpublished = {\url{https://www.abinit.org}},
note = {Online, accessed: 2019-09-30}
}
@misc{Siesta,
title = {{Siesta}},
howpublished = {\url{https://departments.icmab.es/leem/siesta/}},
note = {Online, accessed: 2019-09-30}
}
@misc{Cp2k,
title = {{CP2K}},
howpublished = {\url{https://www.cp2k.org}},
note = {Online, accessed: 2019-09-30}
}
@misc{Lammps,
title = {{LAMMPS}},
howpublished = {\url{https://lammps.sandia.gov}},
note = {Online, accessed: 2019-09-30}
}
@misc{Nocedal,
title = {Nocedal's {L-BFGS-B}},
howpublished = {\url{http://users.iems.northwestern.edu/~nocedal/lbfgsb.html}},
note = {Online, accessed: 2019-09-30}
}
@article{ceriotti_i-pi_2014,
title = {i-{PI}: {A} {Python} interface for ab initio path integral molecular dynamics simulations},
volume = {185},
issn = {0010-4655},
shorttitle = {i-{PI}},
doi = {10.1016/j.cpc.2013.10.027},
number = {3},
urldate = {2015-07-23},
journal = {Comput. Phys. Commun.},
author = {Ceriotti, M. and More, J. and Manolopoulos, D. E.},
year = {2014},
keywords = {Molecular dynamics, Ab initio, Path integral},
pages = {1019--1026},
}
@article{oganov_how_2009,
author = {Oganov, A. R. and Valle, M.},
title = {How to quantify energy landscapes of solids},
journal = {J. Chem. Phys.},
year = {2009},
volume = {130},
number = {10},
doi = {10.1063/1.3079326},
pages = {104504--9}
}
@article{wang_calypso_2012,
author = {Wang, Y. and Lv, J. and Zhu, L. and Ma, Y.},
title = {{CALYPSO}: A method for crystal structure prediction},
journal = {Comput. Phys. Commun.},
year = {2012},
volume = {183},
number = {1},
pages = {2063--2070},
doi = {10.1016/j.cpc.2012.05.008},
month = oct
}
@article{henkelman_dimer_1999,
author = {Henkelman, G. and J\'{o}nsson, H.},
title = {A dimer method for finding saddle points on high dimensional potential surfaces using only first derivatives},
journal = {The Journal of Chemical Physics},
volume = {111},
number = {15},
pages = {7010-7022},
year = {1999},
doi = {10.1063/1.480097}
}
@article{Behler2011,
author = {Behler, J{\"o}rg},
title = {{Atom-centered symmetry functions for constructing high-dimensional neural network potentials}},
journal = {J. Chem. Phys.},
volume = {134},
number = {7},
pages = {074106},
year = {2011},
month = {Feb},
issn = {0021-9606},
publisher = {American Institute of Physics},
doi = {10.1063/1.3553717}
}