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Machine learning advances chemistry and materials science by enabling large-scale exploration of chemical space based on quantum chemical calculations.
P. Pulay, Chemical Physics Letters 73
1980
Earlier work this paper cites.
C. J. Cramer, Essentials of computational chemistry: theories and models (John Wiley & Sons, 2004)
2004
Earlier work this paper cites.
W. C. Lu, C. Z. Wang, M. W. Schmidt, L. Bytautas, K. M. Ho, and K. Ruedenberg, The Journal of chemical physics 120
2004
Earlier work this paper cites.
F. Weigend and R. Ahlrichs, Phys. Chem. Chem. Phys. 7
2005
Earlier work this paper cites.
J. Behler and M. Parrinello, Phys. Rev. Lett. 98
2007
Earlier work this paper cites.
G. Bussi and M. Parrinello, Phys. Rev. E 75
2007
Earlier work this paper cites.
B. J. Braams and J. M. Bowman, International Reviews in Physical Chemistry 28
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.
I. Sutskever, J. Martens, and G. E. Hinton, in Proceedings of the 28th International Conference on Machine Learning (2011) pp. 1017–1024
2011
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.
F. Neese, WIREs Comput. Mol. Sci. 2
2012
Earlier work this paper cites.
D. P. Kingma and J. Ba, arXiv preprint arXiv:1412.6980 (2014)
2014
Earlier work this paper cites.
S. Bach, A. Binder, G. Montavon, F. Klauschen, K.-R. Müller, and W. Samek, PloS one 10
2015
Earlier work this paper cites.
S. De, A. P. Bartók, G. Csányi, and M. Ceriotti, Physical Chemistry Chemical Physics 18
2016
Earlier work this paper cites.
M. To Baben, J. Achenbach, and O. Von Lilienfeld, The Journal of chemical physics 144
2016
Cited alongside, same era.
R. J. Maurer, M. Askerka, V. S. Batista, and J. C. Tully, Phys. Rev. B 94
2016
Cited alongside, same era.
C. Schober, K. Reuter, and H. Oberhofer, The Journal of Chemical Physics 144
2016
Cited alongside, same era.
J. S. Smith, O. Isayev, and A. E. Roitberg, Chem. Sci. 8
2017
Cited alongside, same era.
E. V. Podryabinkin and A. V. Shapeev, Computational Materials Science 140
2017
Cited alongside, same era.
S. Chmiela, A. Tkatchenko, H. E. Sauceda, I. Poltavsky, K. T. Schütt, and K.-R. Müller, Sci. Adv. 3
2017
Cited alongside, same era.
K. Ryczko, D. Strubbe, and I. Tamblyn, (2018) , arXiv:1811.08928
2018
Later among the works it cites.
O. A. von Lilienfeld, Angewandte Chemie International Edition 57
2018
Later among the works it cites.
D. Jha, L. Ward, A. Paul, W.-k. Liao, A. Choudhary, C. Wolverton, and A. Agrawal, Scientific reports 8
2018
Later among the works it cites.
J. R. Kitchin, Nature Catalysis 1
2018
Later among the works it cites.
B. Maryasin, P. Marquetand, and N. Maulide, Angewandte Chemie International Edition 57
2018
Later among the works it cites.
H. Li, C. Collins, M. Tanha, G. J. Gordon, and D. J. Yaron, Journal of Chemical Theory and Computation 14
2018
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F. Brockherde, L. Voigt, L. Li, M. E. Tuckerman, K. Burke, and K.-R. Müller, Nat. Commun. 8
2017
Cited alongside, same era.
M. Gastegger, J. Behler, and P. Marquetand, Chem. Sci. 8
2017
Cited alongside, same era.
M. Eickenberg, G. Exarchakis, M. Hirn, and S. Mallat, in Advances in Neural Information Processing Systems 30 (Curran Associates, Inc., 2017) pp. 6543–6552
2017
Cited alongside, same era.
G. Hegde and R. C. Bowen, Scientific reports 7
2017
Cited alongside, same era.
K. T. Schütt, F. Arbabzadah, S. Chmiela, K.-R. Müller, and A. Tkatchenko, Nat. Commun. 8
2017
Cited alongside, same era.
K. T. Schütt, P.-J. Kindermans, H. E. Sauceda, S. Chmiela, A. Tkatchenko, and K.-R. Müller, in Advances in Neural Information Processing Systems 30 (2017) pp. 992–1002
2017
Cited alongside, same era.
Later among the works it cites.
A. Grisafi, D. M. Wilkins, G. Csányi, and M. Ceriotti, Physical Review Letters 120
2018
Later among the works it cites.
2018
Later among the works it cites.
G. Montavon, W. Samek, and K.-R. Müller, Digital Signal Processing 73
2018
Later among the works it cites.
P.-J. Kindermans, K. T. Schütt, M. Alber, K.-R. Müller, D. Erhan, B. Kim, and S. Dähne, in International Conference on Learning Representations (ICLR) (2018)
2018
Later among the works it cites.
J. You, B. Liu, Z. Ying, V. Pande, and J. Leskovec, in Advances in Neural Information Processing Systems (2018) pp. 6410–6421
2018
Later among the works it cites.
E. V. Podryabinkin, E. V. Tikhonov, A. V. Shapeev, and A. R. Oganov, Physical Review B 99
2019
Closest in time.
D. M. Wilkins, A. Grisafi, Y. Yang, K. U. Lao, R. A. DiStasio, and M. Ceriotti, Proceedings of the National Academy of Sciences of the United States of America 116
2019
Closest in time.
S. Lapuschkin, S. Wäldchen, A. Binder, G. Montavon, W. Samek, and K.-R. Müller, Nature communications 10
2019
Closest in time.