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Nuclear quantum effects (NQE) tend to generate delocalized molecular dynamics due to the inclusion of the zero point energy and its coupling with the anharmonicities in interatomic interactions.
H. D. Merchant, K. K. Srivastava, and H. D. Pandey, Crit. Rev. Solid State 3
1973
Earlier work this paper cites.
H. B. Bürgi, J. D. Dunitz, and E. Shefter, Acta Crystallogr. Sect. B Struct. Crystallogr. Cryst. Chem. 30
1974
Earlier work this paper cites.
K. M. Gough and B. R. Henry, J. Phys. Chem. 88
1984
Earlier work this paper cites.
K. M. Gough, B. R. Henry, and T. A. Wildman, J. Molecular Structure: THEOCHEM 124
1985
Earlier work this paper cites.
T. Liljefors and N. L. Allinger, J. Comput. Chem. 6
1985
Earlier work this paper cites.
P. J. Breen, J. A. Warren, E. R. Bernstein, and J. I. Seeman, J. Chem. Phys. 87
1987
Earlier work this paper cites.
A. E. Reed, L. A. Curtiss, and F. Weinhold, Chem. Rev. 88
1988
Earlier work this paper cites.
P. George, C. W. Bock, J. J. Stezowski, T. Hildenbrand, and J. P. Glusker, J. Phys. Chem. 92
1988
Earlier work this paper cites.
B. Jeziorski, R. Moszynski, and K. Szalewicz, Chem. Rev. 94
1994
Earlier work this paper cites.
V. Kirchner, H. Heinke, D. Hommel, J. Z. Domagala, and M. Leszczynski, Appl. Phys. Lett. 77
2000
Earlier work this paper cites.
T. Kundu, B. Pradhan, and B. P. Singh, J. Chem. Sci. 114
2002
Earlier work this paper cites.
H. Jiang, B. Liu, Y. Huang, and K. C. Hwang, ASME. J. Eng. Mater. Technol. 126
2004
Earlier work this paper cites.
B. C. Gorske, B. L. Bastian, G. D. Geske, and H. E. Blackwell, J. Am. Chem. Soc. 129
2007
Earlier work this paper cites.
T. Janowski and P. Pulay, Chem. Phys. Lett. 447
2007
Earlier work this paper cites.
J. Behler and M. Parrinello, Phys. Rev. Lett. 98
2007
Earlier work this paper cites.
J. Behler, S. Lorenz, and K. Reuter, J. Chem. Phys. 127
2007
Earlier work this paper cites.
A. Tkatchenko and M. Scheffler, Phys. Rev. Lett. 102
2009
Earlier work this paper cites.
A. Pérez, M. E. Tuckerman, H. P. Hjalmarson, and O. A. von Lilienfeld, J. Am. Chem. Soc. 132
2010
Earlier work this paper cites.
G. J. Bartlett, A. Choudhary, R. T. Raines, and D. N. Woolfson, Nat. Chem. Biol. 6
2010
Earlier work this paper cites.
C. E. Jakobsche, A. Choudhary, S. J. Miller, and R. T. Raines, J. Am. Chem. Soc. 132
2010
Earlier work this paper cites.
D. Scheeres, C. Hartzell, P. Sánchez, and M. Swift, Icarus 210
2010
Earlier work this paper cites.
X.-Z. Li, B. Walker, and A. Michaelides, Proc. Natl. Acad. Sci. U.S.A 108
2011
Earlier work this paper cites.
A. Choudhary, K. J. Kamer, and R. T. Raines, J. Org. Chem. 76
2011
Earlier work this paper cites.
A. Aguado, A. Vega, and L. C. Balbás, Phys. Rev. B 84
2011
Earlier work this paper cites.
S. Hay and N. S. Scrutton, Nat. Chem. 4
2012
Earlier work this paper cites.
J. M. Turney, A. C. Simmonett, R. M. Parrish, E. G. Hohenstein, F. A. Evangelista, J. T. Fermann, B. J. Mintz, L. A. Burns, J. J. Wilke, M. L. Abrams, N. J. Russ, M. L. Leininger, C. L. Janssen, E. T. Seidl, W. D. Allen, H. F. Schaefer, R. A. King, E. F. Valeev, C. D. Sherrill, and T. D. Crawford, WIREs Comput. Mol. Sci. 2
2012
Earlier work this paper cites.
F. Neese, Wiley Interdiscip. Rev. Comput. Mol. Sci. 2
2012
Earlier work this paper cites.
C. Cabezas, J. L. Alonso, J. C. López, and S. Mata, Angew. Chem. Int. Ed. 51
2012
Earlier work this paper cites.
A. Tkatchenko, R. A. DiStasio, R. Car, and M. Scheffler, Phys. Rev. Lett. 108
2012
Earlier work this paper cites.
K. V. J. Jose, N. Artrith, and J. Behler, J. Chem. Phys. 136
2012
Cited alongside, same era.
R. M. Parrish, E. G. Hohenstein, and C. D. Sherrill, J. Chem. Phys. 139
2013
Cited alongside, same era.
R. W. Newberry, B. VanVeller, I. A. Guzei, and R. T. Raines, J. Am. Chem. Soc. 135
2013
Cited alongside, same era.
M. Schnell, U. Erlekam, P. R. Bunker, G. von Helden, J.-U. Grabow, G. Meijer, and A. van der Avoird, Angew. Chem. Int. Ed. 52
2013
Cited alongside, same era.
A. P. Bartók, R. Kondor, and G. Csányi, Phys. Rev. B 87
2013
Cited alongside, same era.
L. Wang, S. D. Fried, S. G. Boxer, and T. E. Markland, Proc. Natl. Acad. Sci. U.S.A. 111
2014
Cited alongside, same era.
R. W. Newberry and R. T. Raines, Acc. Chem. Res. 50
2017
Later among the works it cites.
D. S. Kim, O. Hellman, J. Herriman, H. L. Smith, J. Y. Y. Lin, N. Shulumba, J. L. Niedziela, C. W. Li, D. L. Abernathy, and B. Fultz, Proc. Natl. Acad. Sci. U.S.A. 115
2018
Later among the works it cites.
I. Poltavsky, L. Zheng, M. Mortazavi, and A. Tkatchenko, J. Chem. Phys. 148
2018
Later among the works it cites.
T. E. Markland and M. Ceriotti, Nat. Rev. Chem. 2
2018
Later among the works it cites.
S. Chmiela, H. E. Sauceda, K.-R. Müller, and A. Tkatchenko, Nat. Commun. 9
2018
Later among the works it cites.
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A. Ambrosetti, A. M. Reilly, R. A. DiStasio, and A. Tkatchenko, J. Chem. Phys. 140
2014
Cited alongside, same era.
P. Hermet, M. M. Koza, C. Ritter, C. Reibel, and R. Viennois, RSC Adv. 5
2015
Cited alongside, same era.
M. Rossi, W. Fang, and A. Michaelides, J. Phys. Chem. Lett. 6
2015
Cited alongside, same era.
A. P. Bartók and G. Csányi, Int. J. Quantum Chem. 115
2015
Cited alongside, same era.
V. Botu and R. Ramprasad, Phys. Rev. B 92
2015
Cited alongside, same era.
M. Rupp, R. Ramakrishnan, and O. A. von Lilienfeld, J. Phys. Chem. Lett. 6
2015
Cited alongside, same era.
D. G. A. Smith, L. A. Burns, D. A. Sirianni, D. R. Nascimento, A. Kumar, A. M. James, J. B. Schriber, T. Zhang, B. Zhang, A. S. Abbott, E. J. Berquist, M. H. Lechner, L. A. Cunha, A. G. Heide, J. M. Waldrop, T. Y. Takeshita, A. Alenaizan, D. Neuhauser, R. A. King, A. C. Simmonett, J. M. Turney, H. F. Schaefer, F. A. Evangelista, A. E. DePrince, T. D. Crawford, K. Patkowski, and C. D. Sherrill, J. Chem. Theory Comput. 14
2018
Later among the works it cites.
E. D. Glendening, J. K. Badenhoop, A. E. Reed, J. E. Carpenter, J. A. Bohmann, C. M. Morales, P. Karafiloglou, C. R. Landis, and F. Weinhold, “NBO 7.0,” (2018)
2018
Later among the works it cites.
F. Neese, Wiley Interdiscip. Rev. Comput. Mol. Sci. 8
2018
Later among the works it cites.
C. J. Harris, M. Scheibe, S. P. Wongpalee, W. Liu, E. M. Cornett, R. M. Vaughan, X. Li, W. Chen, Y. Xue, Z. Zhong, L. Yen, W. D. Barshop, S. Rayatpisheh, J. Gallego-Bartolome, M. Groth, Z. Wang, J. A. Wohlschlegel, J. Du, S. B. Rothbart, F. Butter, and S. E. Jacobsen, Science 362
2018
Later among the works it cites.
D. V. Fedorov, M. Sadhukhan, M. Stöhr, and A. Tkatchenko, Phys. Rev. Lett. 121
2018
Later among the works it cites.
K. T. Schütt, H. E. Sauceda, P.-J. Kindermans, A. Tkatchenko, and K.-R. Müller, J. Chem. Phys. 148
2018
Later among the works it cites.
M. Eickenberg, G. Exarchakis, M. Hirn, S. Mallat, and L. Thiry, J. Chem. Phys. 148
2018
Later among the works it cites.
A. Mardt, L. Pasquali, H. Wu, and F. Noé, Nat. Commun. 9
2018
Later among the works it cites.
B. R. Shrestha, S. Pillai, A. Santana, S. H. Donaldson Jr., T. A. Pascal, and H. Mishra, J. Phys. Chem. Lett. 10
2019
Later among the works it cites.
A. Berger, G. Ciardi, D. Sidler, P. Hamm, and A. Shalit, Proc. Natl. Acad. Sci. U.S.A. 116
2019
Later among the works it cites.
S. Chmiela, H. E. Sauceda, I. Poltavsky, K.-R. Müller, and A. Tkatchenko, Comput. Phys. Commun. 240
2019
Later among the works it cites.
H. E. Sauceda, S. Chmiela, I. Poltavsky, K.-R. Müller, and A. Tkatchenko, J. Chem. Phys. 150
2019
Later among the works it cites.
V. Kapil, M. Rossi, O. Marsalek, R. Petraglia, Y. Litman, T. Spura, B. Cheng, A. Cuzzocrea, R. H. Meißner, D. M. Wilkins, B. A. Helfrecht, P. Juda, S. P. Bienvenue, W. Fang, J. Kessler, I. Poltavsky, S. Vandenbrande, J. Wieme, C. Corminboeuf, T. D. Kühne, D. E. Manolopoulos, T. E. Markland, J. O. Richardson, A. Tkatchenko, G. A. Tribello, V. V. Speybroeck], and M. Ceriotti, Comput. Phys. Commun. 236
2019
Later among the works it cites.
N. A. Wenzell, H. K. Ganguly, A. K. Pandey, M. R. Bhatt, G. P. A. Yap, and N. J. Zondlo, Chem. Bio. Chem. 20
2019
Later among the works it cites.
S. Blanco, A. Macario, and J. C. López, Phys. Chem. Chem. Phys. 21
2019
Later among the works it cites.
Y.-L. Zhao, N. Ullah, S. Chen, and R.-Q. Zhang, J. Phys. Chem. C 123
2019
Later among the works it cites.
M. Stöhr and A. Tkatchenko, Sci. Adv. 5
2019
Later among the works it cites.
H. E. Sauceda, S. Chmiela, I. Poltavsky, K.-R. Müller, and A. Tkatchenko, “Construction of machine learned force fields with quantum chemical accuracy: Applications and chemical insights,” in Machine Learning Meets Quantum Physics , edited by K. T. Schütt, S. Chmiela, O. A. von Lilienfeld, A. Tkatchenko, K. Tsuda, and K.-R. Müller (Springer International Publishing, 2020) pp. 277–307
2020
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S. Chmiela, H. E. Sauceda, A. Tkatchenko, and K.-R. Müller, “Accurate molecular dynamics enabled by efficient physically constrained machine learning approaches,” in Machine Learning Meets Quantum Physics , edited by K. T. Schütt, S. Chmiela, O. A. von Lilienfeld, A. Tkatchenko, K. Tsuda, and K.-R. Müller (Springer International Publishing, 2020) pp. 129–154
2020
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F. Noé, A. Tkatchenko, K.-R. Müller, and C. Clementi, Annu. Rev. Phys. Chem. 71
2020
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2020
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2020
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2020
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