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Over the past decade inter-atomic potentials based on machine-learning (ML) techniques have become an indispensable tool in the atomic-scale modeling of materials.
J. Sanchez, F. Ducastelle, and D. Gratias, Physica A: Statistical Mechanics and its Applications 128
1984
Earlier work this paper cites.
R. Car and M. Parrinello, Phys. Rev. Lett. 55
1985
Earlier work this paper cites.
M. A Morrison and G. A Parker, Aust. J. Phys. 40
1987
Earlier work this paper cites.
M. Tuckerman, B. J. Berne, and G. J. Martyna, J. Chem. Phys. 97
1992
Earlier work this paper cites.
R. D. King-Smith and D. Vanderbilt, Phys. Rev. B 49
1994
Earlier work this paper cites.
L. Breiman, Mach Learn 24
1996
Earlier work this paper cites.
H. Partridge and D. W. Schwenke, J. Chem. Phys. 106
1997
Earlier work this paper cites.
M. Elstner, D. Porezag, G. Jungnickel, J. Elsner, M. Haugk, T. Frauenheim, S. Suhai, and G. Seifert, Phys. Rev. B 58
1998
Earlier work this paper cites.
D. Marx, M. E. Tuckerman, J. Hutter, and M. Parrinello, Nature 397
1999
Earlier work this paper cites.
S. Baroni, S. De Gironcoli, A. Dal Corso, and P. Giannozzi, Rev. Mod. Phys. 73
2001
Earlier work this paper cites.
G. Onida, L. Reining, and A. Rubio, Rev. Mod. Phys. 74
2002
Earlier work this paper cites.
X. Huang, B. J. Braams, and J. M. Bowman, J. Chem. Phys. 122
2005
Earlier work this paper cites.
J. Behler and M. Parrinello, Phys. Rev. Lett. 98
2007
Earlier work this paper cites.
J. R. Yates, C. J. Pickard, and F. Mauri, Phys. Rev. B 76
2007
Earlier work this paper cites.
M. Pagliai, C. Cavazzoni, G. Cardini, G. Erbacci, M. Parrinello, and V. Schettino, The Journal of Chemical Physics 128
2008
Earlier work this paper cites.
B. Grabowski, L. Ismer, T. Hickel, and J. Neugebauer, Phys. Rev. B 79
2009
Earlier work this paper cites.
A. P. Bartók, M. C. Payne, R. Kondor, and G. Csányi, Phys. Rev. Lett. 104
2010
Earlier work this paper cites.
R. Z. Khaliullin, H. Eshet, T. D. Kühne, J. Behler, and M. Parrinello, Phys. Rev. B 81
2010
Earlier work this paper cites.
X.-Z. Li, B. Walker, and A. Michaelides, Proc. Natl. Acad. Sci. 108
2011
Earlier work this paper cites.
J. Behler, The Journal of Chemical Physics 134
2011
Earlier work this paper cites.
N. Artrith, T. Morawietz, and J. Behler, Phys. Rev. B 83
2011
Earlier work this paper cites.
K. Burke, J. Chem. Phys. 136
2012
Earlier work this paper cites.
M. Rupp, A. Tkatchenko, K.-R. Müller, and O. A. von Lilienfeld, Phys. Rev. Lett. 108
2012
Earlier work this paper cites.
H. Eshet, R. Z. Khaliullin, T. D. Kühne, J. Behler, and M. Parrinello, Phys. Rev. Lett. 108
2012
Earlier work this paper cites.
A. Jain, S. P. Ong, G. Hautier, W. Chen, W. D. Richards, S. Dacek, S. Cholia, D. Gunter, D. Skinner, G. Ceder, and K. A. Persson, APL Materials 1
2013
Earlier work this paper cites.
A. P. Bartók, R. Kondor, and G. Csányi, Phys. Rev. B 87
2013
Earlier work this paper cites.
G. Montavon, M. Rupp, V. Gobre, A. Vazquez-Mayagoitia, K. Hansen, A. Tkatchenko, K. R. Müller, and O. Anatole Von Lilienfeld, New J. Phys. 15
2013
Earlier work this paper cites.
C. Freysoldt, B. Grabowski, T. Hickel, J. Neugebauer, G. Kresse, A. Janotti, and C. G. Van de Walle, Rev. Mod. Phys. 86
2014
Earlier work this paper cites.
A. M. Reilly and A. Tkatchenko, Phys. Rev. Lett. 113
2014
Earlier work this paper cites.
W. J. Szlachta, A. P. Bartók, and G. Csányi, Phys. Rev. B 90
2014
Earlier work this paper cites.
R. Ramakrishnan, P. O. Dral, M. Rupp, and O. A. Von Lilienfeld, Sci. Data 1
2014
Earlier work this paper cites.
G. A. Tribello, M. Bonomi, D. Branduardi, C. Camilloni, and G. Bussi, Comput. Phys. Commun. 185
2014
Earlier work this paper cites.
C. E. Calderon, J. J. Plata, C. Toher, C. Oses, O. Levy, M. Fornari, A. Natan, M. J. Mehl, G. Hart, M. Buongiorno Nardelli, and S. Curtarolo, Computational Materials Science 108
2015
Earlier work this paper cites.
R. Ramakrishnan, P. O. Dral, M. Rupp, and O. A. Von Lilienfeld, J. Chem. Theory Comput. 11
2015
Earlier work this paper cites.
Z. Li, J. R. Kermode, and A. De Vita, Phys. Rev. Lett. 114
2015
Earlier work this paper cites.
T. Bereau, D. Andrienko, and O. A. Von Lilienfeld, J. Chem. Theory Comput. 11
2015
Earlier work this paper cites.
O. Isayev, D. Fourches, E. N. Muratov, C. Oses, K. Rasch, A. Tropsha, and S. Curtarolo, Chem. Mater. 27
2015
Earlier work this paper cites.
A. Adhikari, The Journal of Chemical Physics 143
2015
Earlier work this paper cites.
S. A. Ghasemi, A. Hofstetter, S. Saha, and S. Goedecker, Phys. Rev. B 92
2015
Earlier work this paper cites.
M. Ceriotti, W. Fang, P. G. Kusalik, R. H. McKenzie, A. Michaelides, M. A. Morales, and T. E. Markland, Chem. Rev. 116
2016
Earlier work this paper cites.
M. Rossi, P. Gasparotto, and M. Ceriotti, Phys. Rev. Lett. 117
2016
Earlier work this paper cites.
V. Kapil, J. VandeVondele, and M. Ceriotti, J. Chem. Phys. 144
2016
Earlier work this paper cites.
A. V. Shapeev, Multiscale Model. Simul. 14
2016
Earlier work this paper cites.
A. P. Bartók, S. De, C. Poelking, N. Bernstein, J. R. Kermode, G. Csányi, and M. Ceriotti, Sci. Adv. 3
2017
Earlier work this paper cites.
J. S. Smith, O. Isayev, and A. E. Roitberg, Chem. Sci. 8
2017
Earlier work this paper cites.
C. Liang, G. Tocci, D. M. Wilkins, A. Grisafi, S. Roke, and M. Ceriotti, Phys. Rev. B 96
2017
Earlier work this paper cites.
A. Glielmo, P. Sollich, and A. De Vita, Phys. Rev. B 95
2017
Cited alongside, same era.
J. Gilmer, S. S. Schoenholz, P. F. Riley, O. Vinyals, and G. E. Dahl, in International Conference on Machine Learning (2017) pp. 1263–1272
2017
Cited alongside, same era.
M. Gastegger, J. Behler, and P. Marquetand, Chem. Sci. 8
2017
Cited alongside, same era.
A. Pulido, L. Chen, T. Kaczorowski, D. Holden, M. A. Little, S. Y. Chong, B. J. Slater, D. P. McMahon, B. Bonillo, C. J. Stackhouse, A. Stephenson, C. M. Kane, R. Clowes, T. Hasell, A. I. Cooper, and G. M. Day, Nature 543
2017
Cited alongside, same era.
A. Hjorth Larsen, J. Jørgen Mortensen, J. Blomqvist, I. E. Castelli, R. Christensen, M. Dułak, J. Friis, M. N. Groves, B. Hammer, C. Hargus, E. D. Hermes, P. C. Jennings, P. Bjerre Jensen, J. Kermode, J. R. Kitchin, E. Leonhard Kolsbjerg, J. Kubal, K. Kaasbjerg, S. Lysgaard, J. Bergmann Maronsson, T. Maxson, T. Olsen, L. Pastewka, A. Peterson, C. Rostgaard, J. Schiøtz, O. Schütt, M. Strange, K. S. Thygesen, T. Vegge, L. Vilhelmsen, M. Walter, Z. Zeng, and K. W. Jacobsen, J. Phys.: Condens. Matter 29
P. Rowe, V. L. Deringer, P. Gasparotto, G. Csányi, and A. Michaelides, J. Chem. Phys. 153
2020
Later among the works it cites.
K. Rossi, V. Jurásková, R. Wischert, L. Garel, C. Corminboeuf, and M. Ceriotti, J. Chem. Theory Comput. 16
2020
Later among the works it cites.
A. Shapeev, K. Gubaev, E. Tsymbalov, and E. Podryabinkin, in Machine Learning Meets Quantum Physics , Vol. 968, edited by K. T. Schütt, S. Chmiela, O. A. von Lilienfeld, A. Tkatchenko, K. Tsuda, and K.-R. Müller (Springer International Publishing, Cham, 2020) pp. 309–329
2020
Later among the works it cites.
S. N. Pozdnyakov, M. J. Willatt, A. P. Bartók, C. Ortner, G. Csányi, and M. Ceriotti, Phys. Rev. Lett. 125
2020
Later among the works it cites.
C. Ben Mahmoud, A. Anelli, G. Csányi, and M. Ceriotti, Phys. Rev. B 102
2020
Later among the works it cites.
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2017
Cited alongside, same era.
F. Brockherde, L. Vogt, L. Li, M. E. Tuckerman, K. Burke, and K. R. Müller, Nat. Commun. 8
2017
Cited alongside, same era.
N. Mounet, M. Gibertini, P. Schwaller, D. Campi, A. Merkys, A. Marrazzo, T. Sohier, I. E. Castelli, A. Cepellotti, G. Pizzi, and N. Marzari, Nat. Nanotechnol. 13
2018
Cited alongside, same era.
C. Draxl and M. Scheffler, MRS Bull. 43
2018
Cited alongside, same era.
H.-Y. Ko, R. A. DiStasio, B. Santra, and R. Car, Phys. Rev. Materials 2
2018
Cited alongside, same era.
A. Glielmo, C. Zeni, and A. De Vita, Phys. Rev. B 97
2018
Cited alongside, same era.
K. T. Butler, D. W. Davies, H. Cartwright, O. Isayev, and A. Walsh, Nature 559
2018
Cited alongside, same era.
D. Dragoni, T. D. Daff, G. Csányi, and N. Marzari, Phys. Rev. Materials 2
2018
Cited alongside, same era.
M. Veit, D. M. Wilkins, Y. Yang, R. A. DiStasio, and M. Ceriotti, J. Chem. Phys. 153
2020
Later among the works it cites.
J. Nigam, S. Pozdnyakov, and M. Ceriotti, J. Chem. Phys. 153
2020
Later among the works it cites.
V. Kapil, D. M. Wilkins, J. Lan, and M. Ceriotti, J. Chem. Phys. 152
2020
Later among the works it cites.
G. M. Sommers, M. F. Calegari Andrade, L. Zhang, H. Wang, and R. Car, Phys. Chem. Chem. Phys. 22
2020
Later among the works it cites.
J. Westermayr and P. Marquetand, Mach. Learn.: Sci. Technol. 1
2020
Later among the works it cites.
Z. Qiao, M. Welborn, A. Anandkumar, F. R. Manby, and T. F. Miller, J. Chem. Phys. 153
2020
Later among the works it cites.
J. Behler, Chem. Rev. 121
2021
Later among the works it cites.
F. Musil, A. Grisafi, A. P. Bartók, C. Ortner, G. Csányi, and M. Ceriotti, Chem. Rev. 121
2021
Later among the works it cites.
S. Manzhos and T. Carrington, Chem. Rev. 121
2021
Later among the works it cites.
B. Cheng, M. Bethkenhagen, C. J. Pickard, and S. Hamel, Nat. Phys. 17
2021
Later among the works it cites.
Y. Mishin, Acta Materialia 214
2021
Later among the works it cites.
C. W. Rosenbrock, K. Gubaev, A. V. Shapeev, L. B. Pártay, N. Bernstein, G. Csányi, and G. L. W. Hart, npj Comput Mater 7
2021
Later among the works it cites.
J. Hoja, L. Medrano Sandonas, B. G. Ernst, A. Vazquez-Mayagoitia, R. A. DiStasio, and A. Tkatchenko, Sci Data 8
2021
Later among the works it cites.
R. Jackson, W. Zhang, and J. Pearson, Chem. Sci. 12
2021
Later among the works it cites.
G. Imbalzano, Y. Zhuang, V. Kapil, K. Rossi, E. A. Engel, F. Grasselli, and M. Ceriotti, J. Chem. Phys. 154
2021
Later among the works it cites.
M. M. Bronstein, J. Bruna, T. Cohen, and P. Veličković, arxiv:2104.13478 (2021)
2021
Later among the works it cites.
A. M. Lewis, A. Grisafi, M. Ceriotti, and M. Rossi, J. Chem. Theory Comput. 17
2021
Later among the works it cites.
2021
Later among the works it cites.
J. Klicpera, F. Becker, and S. Günnemann, arxiv:2106.08903 (2021)
2021
Later among the works it cites.
J. Westermayr and R. J. Maurer, Chem. Sci. 12
2021
Later among the works it cites.
O. Unke, M. Bogojeski, M. Gastegger, M. Geiger, T. Smidt, and K.-R. Müller, Adv. Neural Inf. Process. Syst. 34
2021
Later among the works it cites.
A. Glielmo, B. E. Husic, A. Rodriguez, C. Clementi, F. Noé, and A. Laio, Chem. Rev. 121
2021
Later among the works it cites.
R. K. Cersonsky, B. A. Helfrecht, E. A. Engel, S. Kliavinek, and M. Ceriotti, Mach. Learn.: Sci. Technol. 2
2021
Later among the works it cites.
L. Gigli, M. Veit, M. Kotiuga, G. Pizzi, N. Marzari, and M. Ceriotti, arxiv:2111.05129 (2021)
2021
Later among the works it cites.
S. Shepherd, J. Lan, D. M. Wilkins, and V. Kapil, J. Phys. Chem. Lett. 12
2021
Later among the works it cites.
E. A. Engel, V. Kapil, and M. Ceriotti, J. Phys. Chem. Lett. 12
2021
Later among the works it cites.
J. A. Ellis, L. Fiedler, G. A. Popoola, N. A. Modine, J. A. Stephens, A. P. Thompson, A. Cangi, and S. Rajamanickam, Phys. Rev. B 104
2021
Later among the works it cites.
N. Lopanitsyna, C. Ben Mahmoud, and M. Ceriotti, Phys. Rev. Materials 5
2021
Later among the works it cites.
Y. Zhang, J. Xia, and B. Jiang, Phys. Rev. Lett. 127
2021
Later among the works it cites.
S. P. Niblett, M. Galib, and D. T. Limmer, J. Chem. Phys. 155
2021
Later among the works it cites.
A. Grisafi, J. Nigam, and M. Ceriotti, Chem. Sci. 12
2021
Later among the works it cites.
B. Kalita, L. Li, R. J. McCarty, and K. Burke, Acc. Chem. Res. , acs.accounts.0c00742 (2021)
2021
Later among the works it cites.
2021
Later among the works it cites.
M. F. Langer, A. Goeßmann, and M. Rupp, npj Comput Mater 8
2022
Closest in time.
V. Kapil and E. A. Engel, Proc. Natl. Acad. Sci. U.S.A. 119
2022
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J. G. Lee, C. J. Pickard, and B. Cheng, J. Chem. Phys. 156
2022
Closest in time.
C. B. Mahmoud, F. Grasselli, and M. Ceriotti, arxiv:2205.05591 (2022)
2022
Closest in time.
I. Novikov, B. Grabowski, F. Körmann, and A. Shapeev, npj Comput Mater 8
2022
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A. Gao and R. C. Remsing, Nat Commun 13
2022
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A. Fabrizio, K. R. Briling, and C. Corminboeuf, Digital Discovery , 10.1039.D1DD00050K (2022)
2022
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