Fetching the paper…
Reading the bibliography…
The success of first principles electronic structure calculation for predictive modeling in chemistry, solid state physics, and materials science is constrained by the limitations on simulated length and time scales due to computational cost and its scaling.
R. J. Jaccodine, J. Electrochem. Soc. 110
1963
Earlier work this paper cites.
V. Vitek, Philos Mag 18
1968
Earlier work this paper cites.
H. J. Monkhorst and J. D. Pack, Phys. Rev. B 13
1976
Earlier work this paper cites.
K. G. Lyon, G. L. Salinger, C. A. Swenson, and G. K. White, J Appl Phys 48
1977
Earlier work this paper cites.
P. Steinhardt, D. Nelson, and M. Ronchetti, Phys. Rev. B 28
1983
Earlier work this paper cites.
Y. Okada and Y. Tokumaru, J Appl Phys 56
1984
Earlier work this paper cites.
R. Car and M. Parrinello, Phys. Rev. Lett. 55
1985
Earlier work this paper cites.
F. H. Stillinger and T. A. Weber, Phys Rev B 31
1985
Earlier work this paper cites.
F. H. Stillinger and T. A. Weber, Phys. Rev. B 33
1986
Earlier work this paper cites.
J. Tersoff, Phys. Rev. Lett. 56
1986
Earlier work this paper cites.
K. C. Pandey, Phys. Rev. Lett. 57
1986
Earlier work this paper cites.
J. Q. Broughton and X.-P. Li, Phys. Rev. B 35
1987
Earlier work this paper cites.
D. Haneman, Rep Prog Phys 50
1987
Earlier work this paper cites.
J. Barzilai and J. M. Borwein, IMA J Numer Anal 8
1988
Earlier work this paper cites.
J. Tersoff, Phys. Rev. B 39
1989
Earlier work this paper cites.
L. Goodwin, A. J. Skinner, and D. G. Pettifor, Europhys. Lett. 9
1989
Earlier work this paper cites.
S. Biernacki and M. Scheffler, Phys Rev Lett 63
1989
Earlier work this paper cites.
J. Tersoff, Phys. Rev. B 41
1990
Earlier work this paper cites.
E. Nygren and M. J. Aziz, J. Appl. Phys. 70
1991
Earlier work this paper cites.
S. Roorda, J. M. Poate, D. C. Jacobson, D. J. Eaglesham, and F. Spaepen, Phys. Rev. B 44
1991
Earlier work this paper cites.
I. Štich, M. C. Payne, R. D. KINGSMITH, J. S. Lin, and L. J. CLARKE, Phys. Rev. Lett. 68
1992
Earlier work this paper cites.
H. Balamane, T. Halicioglu, and W. A. Tiller, Phys Rev B 46
1992
Earlier work this paper cites.
M. I. Baskes, Phys Rev B 46
1992
Earlier work this paper cites.
J. P. Perdew, J. A. Chevary, S. H. Vosko, K. A. Jackson, M. R. Pederson, D. J. Singh, and C. Fiolhais, Phys. Rev. B 46
1992
Earlier work this paper cites.
E. Kaxiras and K. C. Pandey, Phys. Rev. B 47
1993
Earlier work this paper cites.
E. Kaxiras and M. S. Duesbery, Phys. Rev. Lett. 70
1993
Earlier work this paper cites.
M. Menon and K. R. Subbaswamy, Phys. Rev. B 50
1994
Earlier work this paper cites.
I. Kwon, R. Biswas, C.-Z. Wang, K.-M. Ho, and C. M. Soukoulis, Phys. Rev. B 49
1994
Earlier work this paper cites.
J. James L Mercer and M. Y. Chou, Phys. Rev. B 49
1994
Earlier work this paper cites.
J. R. Morris, C.-Z. Wang, K.-M. Ho, and C. T. Chan, Phys. Rev. B 49
1994
Earlier work this paper cites.
T. B. Blank, S. D. Brown, A. W. Calhoun, and D. J. Doren, J. Chem. Phys. 103
1995
Earlier work this paper cites.
D. Porezag, T. Frauenheim, T. Kohler, G. Seifert, and R. Kaschner, Phys. Rev. B 51
1995
Earlier work this paper cites.
T. Frauenheim, F. Weich, T. Kohler, S. Uhlman, D. Porezag, and G. Seifert, Phys Rev B 52
1995
Earlier work this paper cites.
S. Plimpton, Journal of Computational Physics 117
1995
Earlier work this paper cites.
W. Yu, Z. Q. Wang, and D. Stroud, Phys. Rev. B 54
1996
Earlier work this paper cites.
Y.-M. Juan and E. Kaxiras, Philosophical Magazine A 74
1996
Earlier work this paper cites.
N. Marzari and D. Vanderbilt, Phys. Rev. B 56
1997
Earlier work this paper cites.
R. E. Cohen, L. Stixrude, and E. Wasserman, Phys. Rev. B 56
1997
Earlier work this paper cites.
T. J. Lenosky, J. D. Kress, I. Kwon, A. F. Voter, B. Edwards, D. F. Richards, S. Yang, and J. B. Adams, Phys. Rev. B 55
1997
Earlier work this paper cites.
N. Bernstein and E. Kaxiras, Phys. Rev. B 56
1997
Earlier work this paper cites.
V. N. Vapnik, Statistical learning theory (Wiley-Interscience, 1998)
1998
Earlier work this paper cites.
D. Holland and M. P. Marder, “Erratum: Ideal brittle fracture of silicon studied with molecular dynamics [phys. rev. lett. 80, 746 (1998)],” (1998a)
1998
Earlier work this paper cites.
J. F. Justo, M. Z. Bazant, E. Kaxiras, V. V. Bulatov, and S. Yip, Phys. Rev. B 58
1998
Earlier work this paper cites.
K. Kakimoto, J Appl Phys 77
1998
Earlier work this paper cites.
M. de Koning, A. Antonelli, M. Z. Bazant, E. Kaxiras, and J. F. Justo, Phys. Rev. B 58
1998
Earlier work this paper cites.
J. Q. Broughton, F. F. Abraham, N. Bernstein, and E. Kaxiras, Phys. Rev. B 60
1999
Earlier work this paper cites.
C.-Z. Wang, B. C. Pan, and K.-M. Ho, J Phys-Condens Mat 11
1999
Earlier work this paper cites.
P. G. Sanders and M. J. Aziz, J Appl Phys 86
1999
Earlier work this paper cites.
K. Laaziri, S. Kycia, S. Roorda, H. Chicoine, J. L. Robertson, J. Wang, and S. C. Moss, Phys. Rev. Lett. 82
1999
Earlier work this paper cites.
D. W. Brenner, Computer simulation of materials at atomic level (2000)
2000
Earlier work this paper cites.
T. J. Lenosky, B. Sadigh, E. Alonso, V. V. Bulatov, T. Díaz de la Rubia, J. Kim, A. F. Voter, and J. D. Kress, Model Simul Mater Sci Eng 8
2000
Earlier work this paper cites.
N. Bernstein, M. J. Mehl, D. A. Papaconstantopoulos, N. I. Papanicolaou, M. Z. Bazant, and E. Kaxiras, Phys. Rev. B 62
2000
Earlier work this paper cites.
G. Henkelman and H. Jónsson, J. Chem. Phys. 113
2000
Earlier work this paper cites.
J. Swadener, M. Baskes, and M. Nastasi, Phys. Rev. Lett. 89
2002
Earlier work this paper cites.
S. Goedecker, T. Deutsch, and L. Billard, Phys. Rev. Lett. 88
2002
Earlier work this paper cites.
A. Brown, B. J. Braams, K. Christoffel, Z. Jin, and J. M. Bowman, J Chem Phys (2003)
2003
Earlier work this paper cites.
S. Sastry and C. A. Angell, Nat Mater 2
2003
Earlier work this paper cites.
D. Alfè and M. Gillan, Phys Rev B 68
2003
Earlier work this paper cites.
G. Voronin, C. Pantea, T. Zerda, L. Wang, and Y. Zhao, Phys Rev B 68
2003
Earlier work this paper cites.
J. Godet, L. Pizzagalli, S. Brochard, and P. Beauchamp, J Phys-Condens Mat 15
2003
Earlier work this paper cites.
M. W. Finnis, Interatomic Forces in Condensed Matter (Oxford University Press, 2004)
2004
Earlier work this paper cites.
G. Csányi, T. Albaret, M. C. Payne, and A. De Vita, Phys. Rev. Lett. 93
2004
Earlier work this paper cites.
T. Zhu, J. Li, and S. Yip, Phys. Rev. Lett. 93
2004
Cited alongside, same era.
E. Snelson and Z. Ghahramani, Advances in neural … (2005)
2005
Cited alongside, same era.
J. Q. Quinonero-Candela and C. E. Rasmussen, Journal of Machine Learning Research (2005)
2005
Cited alongside, same era.
S. J. Clark, M. D. Segall, C. J. Pickard, P. J. Hasnip, M. I. J. Probert, K. Refson, and M. C. Payne, Z. Kristallogr. 220
2005
Cited alongside, same era.
G. Csányi, T. Albaret, G. Moras, A. D. Vita, and M. C. Payne, J. Phys. Condens. Matter 17
2005
Cited alongside, same era.
S. D. Solares, S. Dasgupta, P. A. Schultz, Y.-H. Kim, C. B. Musgrave, and W. A. Goddard, Langmuir (2005)
2005
Cited alongside, same era.
A. P. Bartók and G. Csányi, Int. J. Quantum Chem. 116
2016
Later among the works it cites.
N. Artrith and A. Urban, Comp Mater Sci 114
2016
Later among the works it cites.
P. E. Dolgirev, I. A. Kruglov, and A. R. Oganov, AIP Advances 6
2016
Later among the works it cites.
A. V. Shapeev, Multiscale Model Sim 14
2016
Later among the works it cites.
V. Botu, R. Batra, J. Chapman, and R. Ramprasad, J. Phys. Chem. C 121
2016
Later among the works it cites.
F. A. Faber, A. Lindmaa, O. A. von Lilienfeld, and R. Armiento, Phys Rev Lett (2016)
2016
Later among the works it cites.
B. Huang and O. A. von Lilienfeld, J Chem Phys (2016)
alphaXiv searches the wider corpus for related work and actual follow-ups.
alphaXiv is searching for related work…
N. Mounet and N. Marzari, Physical Review B 71
2005
Cited alongside, same era.
S. Lorenz, M. Scheffler, and A. Gross, Phys. Rev. B 73
2006
Cited alongside, same era.
C. E. Rasmussen and C. K. I. Williams, Gaussian Processes for Machine Learning (MIT Press, 2006)
2006
Cited alongside, same era.
M. J. Buehler, A. C. T. Van Duin, and I. William A Goddard, Phys. Rev. Lett. 96
2006
Cited alongside, same era.
C. J. Pickard and R. J. Needs, Phys. Rev. Lett. 97
2006
Cited alongside, same era.
J. Behler and M. Parrinello, Phys. Rev. Lett. 98
2007
Cited alongside, same era.
2016
Later among the works it cites.
I. Goodfellow, Y. Bengio, and A. Courville, Deep Learning (MIT Press, 2016) http://www.deeplearningbook.org
2016
Later among the works it cites.
S. De, A. P. Bartók, G. Csányi, and M. Ceriotti, Phys Chem Chem Phys 18
2016
Later among the works it cites.
K. Lejaeghere, G. Bihlmayer, T. Björkman, P. Blaha, S. Blügel, V. Blum, D. Caliste, I. E. Castelli, S. J. Clark, A. Dal Corso, S. de Gironcoli, T. Deutsch, J. K. Dewhurst, I. Di Marco, C. Draxl, M. Dułak, O. Eriksson, J. A. Flores-Livas, K. F. Garrity, L. Genovese, P. Giannozzi, M. Giantomassi, S. Goedecker, X. Gonze, O. Grånäs, E. K. U. Gross, A. Gulans, F. Gygi, D. R. Hamann, P. J. Hasnip, N. A. W. Holzwarth, D. Iuşan, D. B. Jochym, F. Jollet, D. Jones, G. Kresse, K. Koepernik, E. Küçükbenli, Y. O. Kvashnin, I. L. M. Locht, S. Lubeck, M. Marsman, N. Marzari, U. Nitzsche, L. Nordström, T. Ozaki, L. Paulatto, C. J. Pickard, W. Poelmans, M. I. J. Probert, K. Refson, M. Richter, G.-M. Rignanese, S. Saha, M. Scheffler, M. Schlipf, K. Schwarz, S. Sharma, F. Tavazza, P. Thunström, A. Tkatchenko, M. Torrent, D. Vanderbilt, M. J. van Setten, V. Van Speybroeck, J. M. Wills, J. R. Yates, G.-X. Zhang, and S. Cottenier, Science 351
2016
Later among the works it cites.
D. Packwood, J. Kermode, L. Mones, N. Bernstein, J. Woolley, N. Gould, C. Ortner, and G. Csányi, J. Chem. Phys. 144
2016
Later among the works it cites.
R. Ramprasad, R. Batra, G. Pilania, A. Mannodi-Kanakkithodi, and C. Kim, 3
2017
Later among the works it cites.
V. L. Deringer and G. Csányi, Phys Rev B 95
2017
Later among the works it cites.
A. Glielmo, P. Sollich, and A. De Vita, Phys. Rev. B 95
2017
Later among the works it cites.
P. O. Dral, A. Owens, S. N. Yurchenko, and W. Thiel, 146
2017
Later among the works it cites.
T. Lenzen and U. Manthe, 147
2017
Later among the works it cites.
O. T. Unke and M. Meuwly, 57
2017
Later among the works it cites.
T. L. Pham, H. Kino, K. Terakura, T. Miyake, K. Tsuda, I. Takigawa, and H. C. Dam, 18
2017
Later among the works it cites.
J. Behler, Angew Chem Int Edit 56
2017
Later among the works it cites.
S. Faraji, S. A. Ghasemi, S. Rostami, R. Rasoulkhani, B. Schaefer, S. Goedecker, and M. Amsler, 95
2017
Later among the works it cites.
E. D. Cubuk, B. D. Malone, B. Onat, A. Waterland, and E. Kaxiras, 147
2017
Later among the works it cites.
R. Kobayashi, D. Giofré, T. Junge, M. Ceriotti, and W. A. Curtin, Phys. Rev. Materials 1
2017
Later among the works it cites.
S. Hajinazar, J. Shao, and A. N. Kolmogorov, 95
2017
Later among the works it cites.
S. Jindal, S. Chiriki, and S. S. Bulusu, 146
2017
Later among the works it cites.
K. Shakouri, J. Behler, J. Meyer, and G.-J. Kroes, 8
2017
Later among the works it cites.
V. Quaranta, M. Hellström, and J. Behler, 8
2017
Later among the works it cites.
S. K. Natarajan and J. Behler, 121
2017
Later among the works it cites.
J. R. Boes and J. R. Kitchin, 121
2017
Later among the works it cites.
B. Kolb, X. Luo, X. Zhou, B. Jiang, and H. Guo, 8
2017
Later among the works it cites.
V. L. Deringer, G. Csányi, and D. M. Proserpio, ChemPhysChem 18
2017
Later among the works it cites.
C. Chen, Z. Deng, R. Tran, H. Tang, I.-H. Chu, and S. P. Ong, Phys. Rev. Materials 1
2017
Later among the works it cites.
I. Kruglov, O. Sergeev, A. Yanilkin, and A. R. Oganov, Sci Rep 7
2017
Later among the works it cites.
F. A. Faber, L. Hutchison, B. Huang, J. Gilmer, S. S. Schoenholz, G. E. Dahl, O. Vinyals, S. Kearnes, P. F. Riley, and O. A. von Lilienfeld, J Chem Theory Comput (2017)
2017
Later among the works it cites.
K. T. Schütt, F. Arbabzadah, S. Chmiela, K. R. Müller, and A. Tkatchenko, Nat Comms (2017)
2017
Later among the works it cites.
A. Grisafi, D. M. Wilkins, G. Csányi, and M. Ceriotti, 120
2017
Later among the works it cites.
G. Ferré, T. Haut, and K. Barros, 146
2017
Later among the works it cites.
J. S. Smith, O. Isayev, and A. E. Roitberg, Chemical Science 8
2017
Later among the works it cites.
J. Wu, L. Shen, and W. Yang, 147
2017
Later among the works it cites.
G. P. Purja Pun and Y. Mishin, Phys. Rev. B 95
2017
Later among the works it cites.
A. H. Larsen, J. J. 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. B. Jensen, J. Kermode, J. R. Kitchin, E. L. Kolsbjerg, J. Kubal, K. Kaasbjerg, S. Lysgaard, J. B. 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
2017
Later among the works it cites.
R. C. Remsing, M. L. Klein, and J. Sun, Phys. Rev. B 96
2017
Later among the works it cites.
N. Artrith, A. Urban, and G. Ceder, Phys. Rev. B 96
2017
Later among the works it cites.
M. Hirn, S. Mallat, and N. Poilvert, Multiscale Model. Simul. 15
2017
Later among the works it cites.
P. Rowe, G. Csányi, D. Alfè, and A. Michaelides, Phys. Rev. B 97
2018
Closest in time.
K. Gubaev, E. V. Podryabinkin, and A. V. Shapeev, 148
2018
Closest in time.
L. Shen and W. Yang, 14
2018
Closest in time.
T. L. Jacobsen, M. S. Jørgensen, and B. Hammer, 120
2018
Closest in time.
N. Artrith, A. Urban, and G. Ceder, 148
2018
Closest in time.
B. Onat, E. D. Cubuk, B. D. Malone, and E. Kaxiras, Phys. Rev. B 97
2018
Closest in time.
K. Ryczko, K. Mills, I. Luchak, C. Homenick, and I. Tamblyn, 149
2018
Closest in time.
M. A. Caro, V. L. Deringer, J. Koskinen, T. Laurila, and G. Csányi, 120
2018
Closest in time.
D. Dragoni, T. D. Daff, G. Csányi, and N. Marzari, Phys. Rev. Materials 2
2018
Closest in time.
M. A. Wood and A. P. Thompson, J Chem Phys (2018)
2018
Closest in time.
P. Bleiziffer, K. Schaller, and S. Riniker, 58
2018
Closest in time.
J. L. McDonagh, A. F. Silva, M. A. Vincent, and P. L. A. Popelier, 14
2018
Closest in time.
L. Zhang, J. Han, H. Wang, R. Car, and W. E, Phys. Rev. Lett. 120
2018
Closest in time.
K. T. Schütt, H. E. Sauceda, P.-J. Kindermans, A. Tkatchenko, and K.-R. Müller, 148
2018
Closest in time.
F. A. Faber, A. S, Christensen, B. Huang, and O. A. von Lilienfeld, 148
2018
Closest in time.
N. Lubbers, J. S. Smith, and K. Barros, 148
2018
Closest in time.
T. Bereau, R. A. DiStasio, Jr., A. Tkatchenko, and O. A. von Lilienfeld, 148
2018
Closest in time.
O. T. Unke and M. Meuwly, 148
2018
Closest in time.
F. Fracchia, G. D. Frate, G. Mancini, W. Rocchia, and V. Barone, 14
2018
Closest in time.