SCOPUS 정보 검색 플랫폼 - 논문 보기

메뉴 건너뛰기

Physical Review B - Condensed Matter and Materials Physics

Volumn 92, Issue 9, 2015, Pages

Learning scheme to predict atomic forces and accelerate materials simulations

(2) Botu, V a Ramprasad, R a

a UNIVERSITY OF CONNECTICUT (United States)

Author keywords

[No Author keywords available]

Indexed keywords

EID: 84943744240 PISSN: 10980121 EISSN: 1550235X Source Type: Journal
DOI: 10.1103/PhysRevB.92.094306 Document Type: Article

Times cited : (216)

References (32)

1
- 34547564932
- R. P. Feynman, Phys. Rev. 56, 340 (1939). PHRVAO 0031-899X 10.1103/PhysRev.56.340
- (1939) Phys. Rev. , vol.56 , pp. 340
- Feynman, R.P.¹

2
- 60549098239
- J. Ginsberg, M. H. Mohebbi, R. S. Patel, L. Brammer, M. S. Smolinski, and L. Brilliant, Nature (London) 457, 1012 (2009). NATUAS 0028-0836 10.1038/nature07634
- (2009) Nature (London) , vol.457 , pp. 1012
- Ginsberg, J.¹ Mohebbi, M.H.² Patel, R.S.³ Brammer, L.⁴ Smolinski, M.S.⁵ Brilliant, L.⁶

3
- 84862835806
- H. Choi and H. Varian, Econ. Rec. 88, 2 (2012). 0013-0249 10.1111/j.1475-4932.2012.00809.x
- (2012) Econ. Rec. , vol.88 , pp. 2
- Choi, H.¹ Varian, H.²

4
- 84873628563
- S. E. Hampton, C. A. Strasser, J. J. Tewksbury, W. K. Gram, A. E. Budden, A. L. Batcheller, C. S. Duke, and J. H. Porter, Front. Ecol. Environ. 11, 156 (2013). 1540-9295 10.1890/120103
- (2013) Front. Ecol. Environ. , vol.11 , pp. 156
- Hampton, S.E.¹ Strasser, C.A.² Tewksbury, J.J.³ Gram, W.K.⁴ Budden, A.E.⁵ Batcheller, A.L.⁶ Duke, C.S.⁷ Porter, J.H.⁸

5
- 84877676957
- M. M. Gobble, Res. Technol. Manage. 56 (1), 64 (2013). 10.5437/08956308X5601005
- (2013) Res. Technol. Manage. , vol.56 , Issue.1 , pp. 64
- Gobble, M.M.¹

6
- 84867809678
- P. T. Metaxas and E. Mustafaraj, Science 338, 472 (2012). SCIEAS 0036-8075 10.1126/science.1230456
- (2012) Science , vol.338 , pp. 472
- Metaxas, P.T.¹ Mustafaraj, E.²

7
- 85015134200
- in, edited by A. L. Parrill and K. B. Lipkowitz (Wiley, New York)
- T. Mueller, A. G. Kusne, and R. Ramprasad, in Reviews in Computational Chemistry, edited by A. L. Parrill and K. B. Lipkowitz (Wiley, New York, 2016).
- (2016) Reviews in Computational Chemistry
- Mueller, T.¹ Kusne, A.G.² Ramprasad, R.³

8
- 84925425769
- L. M. Ghiringhelli, J. Vybiral, S. V. Levchenko, C. Draxl, and M. Scheffler, Phys. Rev. Lett. 114, 105503 (2015). PRLTAO 0031-9007 10.1103/PhysRevLett.114.105503
- (2015) Phys. Rev. Lett. , vol.114 , pp. 105503
- Ghiringhelli, L.M.¹ Vybiral, J.² Levchenko, S.V.³ Draxl, C.⁴ Scheffler, M.⁵

9
- 80053512754
- J. Behler, Phys. Chem. Chem. Phys. 13, 17930 (2011). PPCPFQ 1463-9076 10.1039/c1cp21668f
- (2011) Phys. Chem. Chem. Phys. , vol.13 , pp. 17930
- Behler, J.¹

10
- 4444243883
- S. Lorenz, A. Groß, and M. Scheffler, Chem. Phys. Lett. 395, 210 (2004). CHPLBC 0009-2614 10.1016/j.cplett.2004.07.076
- (2004) Chem. Phys. Lett. , vol.395 , pp. 210
- Lorenz, S.¹ Groß, A.² Scheffler, M.³

11
- 77950441864
- A. P. Bartok, M. C. Payne, R. Kondor, and G. Csanyi, Phys. Rev. Lett. 104, 136403 (2010). PRLTAO 0031-9007 10.1103/PhysRevLett.104.136403
- (2010) Phys. Rev. Lett. , vol.104 , pp. 136403
- Bartok, A.P.¹ Payne, M.C.² Kondor, R.³ Csanyi, G.⁴

12
- 84936800621
- V. Botu and R. Ramprasad, Int. J. Quantum Chem. 115, 1074 (2015). IJQCB2 0020-7608 10.1002/qua.24836
- (2015) Int. J. Quantum Chem. , vol.115 , pp. 1074
- Botu, V.¹ Ramprasad, R.²

13
- 84924365603
- Z. Li, J. R. Kermode, and A. De Vita, Phys. Rev. Lett. 114, 096405 (2015). PRLTAO 0031-9007 10.1103/PhysRevLett.114.096405
- (2015) Phys. Rev. Lett. , vol.114 , pp. 096405
- Li, Z.¹ Kermode, J.R.² De Vita, A.³

14
- 79953856961
- J. Behler, J. Chem. Phys. 134, 074106 (2011). JCPSA6 0021-9606 10.1063/1.3553717
- (2011) J. Chem. Phys. , vol.134 , pp. 074106
- Behler, J.¹

15
- 84905734524
- L. Yang, S. Dacek, and G. Ceder, Phys. Rev. B 90, 054102 (2014). PRBMDO 1098-0121 10.1103/PhysRevB.90.054102
- (2014) Phys. Rev. B , vol.90 , pp. 054102
- Yang, L.¹ Dacek, S.² Ceder, G.³

16
- 84878571921
- A. P. Bartok, R. Kondor, and G. Csanyi, Phys. Rev. B 87, 184115 (2013). PRBMDO 1098-0121 10.1103/PhysRevB.87.184115
- (2013) Phys. Rev. B , vol.87 , pp. 184115
- Bartok, A.P.¹ Kondor, R.² Csanyi, G.³

17
- 84856512353
- M. Rupp, A. Tkatchenko, K. R. Muller, and O. A. von Lilienfeld, Phys. Rev. Lett. 108, 058301 (2012). PRLTAO 0031-9007 10.1103/PhysRevLett.108.058301
- (2012) Phys. Rev. Lett. , vol.108 , pp. 058301
- Rupp, M.¹ Tkatchenko, A.² Muller, K.R.³ Von Lilienfeld, O.A.⁴

18
- 84885144755
- G. Pilania, C. Wang, X. Jiang, S. Rajasekaran, and R. Ramprasad, Sci. Rep. 3, 2810 (2013). 2045-2322 10.1038/srep02810
- (2013) Sci. Rep. , vol.3 , pp. 2810
- Pilania, G.¹ Wang, C.² Jiang, X.³ Rajasekaran, S.⁴ Ramprasad, R.⁵

19
- 84882415695
- K. Hansen, G. Montavon, F. Biegler, S. Fazil, M. Rupp, M. Scheffler, O. A. von Lilienfeld, A. Tkatchenko, and K. Muller, J. Chem. Theory Comput. 9, 3404 (2013). 1549-9618 10.1021/ct400195d
- (2013) J. Chem. Theory Comput. , vol.9 , pp. 3404
- Hansen, K.¹ Montavon, G.² Biegler, F.³ Fazil, S.⁴ Rupp, M.⁵ Scheffler, M.⁶ Von Lilienfeld, O.A.⁷ Tkatchenko, A.⁸ Muller, K.⁹

20
- 0003684449
- 2nd ed. (Springer, New York)
- T. Hastie, R. Tibshirani, and J. Friedman, The Elements of Statistical Learning: Data Mining, Inference, and Prediction, 2nd ed. (Springer, New York, 2009).
- (2009) The Elements of Statistical Learning: Data Mining, Inference, and Prediction
- Hastie, T.¹ Tibshirani, R.² Friedman, J.³

21
- 84943765291
- mlpy: Machine learning python," arXiv:1202.6548
- D. Albanese, R. Visintainer, S. Merler, S. Riccadonna, G. Jurman, and C. Furlanello, "mlpy: Machine learning python," arXiv:1202.6548.
- Albanese, D.¹ Visintainer, R.² Merler, S.³ Riccadonna, S.⁴ Jurman, G.⁵ Furlanello, C.⁶

22
- 2442537377
- G. Kresse and J. Furthmuller, Phys. Rev. B 54, 11169 (1996). PRBMDO 1098-0121 10.1103/PhysRevB.54.11169
- (1996) Phys. Rev. B , vol.54 , pp. 11169
- Kresse, G.¹ Furthmuller, J.²

23
- 0011236321
- G. Kresse and D. Joubert, Phys. Rev. B 59, 1758 (1999). PRBMDO 1098-0121 10.1103/PhysRevB.59.1758
- (1999) Phys. Rev. B , vol.59 , pp. 1758
- Kresse, G.¹ Joubert, D.²

24
- 2842565972
- J. P. Perdew, K. Burke, and Y. Wang, Phys. Rev. B 54, 16533 (1996). PRBMDO 1098-0121 10.1103/PhysRevB.54.16533
- (1996) Phys. Rev. B , vol.54 , pp. 16533
- Perdew, J.P.¹ Burke, K.² Wang, Y.³

25
- 25744460922
- P. E. Blöchl, Phys. Rev. B 50, 17953 (1994). PRBMDO 1098-0121 10.1103/PhysRevB.50.17953
- (1994) Phys. Rev. B , vol.50 , pp. 17953
- Blöchl, P.E.¹

26
- 0036572216
- S. R. Bahn and K. W. Jacobsen, Comput. Sci. Eng. 4, 56 (2002). CSENFA 1521-9615 10.1109/5992.998641
- (2002) Comput. Sci. Eng. , vol.4 , pp. 56
- Bahn, S.R.¹ Jacobsen, K.W.²

27
- 84943795528
- See Supplemental Material at http://link.aps.org/supplemental/10.1103/PhysRevB.92.094306 for (i) a video of geometry optimization of defects in bulk fcc Al, (ii) a video of a molecular dynamics simulation of adatom migration on the Al (111) surface, and (iii) a discussion on using the direction-resolved atomic fingerprint for multielemental systems, including some preliminary force predictions.

28
- 3843132959
- V. K. La Mer, J. Chem. Phys. 1, 289 (1933). JCPSA6 0021-9606 10.1063/1.1749291
- (1933) J. Chem. Phys. , vol.1 , pp. 289
- La Mer, V.K.¹

29
- 0004111418
- 2nd ed. (Wiley, New York)
- S. W. Benson, Thermochemical Kinetics: Methods for the Estimation of Thermochemical Data and Rate Parameters, 2nd ed. (Wiley, New York, 1976).
- (1976) Thermochemical Kinetics: Methods for the Estimation of Thermochemical Data and Rate Parameters
- Benson, S.W.¹

30
- 70449134765
- D. Alfe, Comp. Phys. Comm. 180, 2622 (2009). CPHCBZ 0010-4655 10.1016/j.cpc.2009.03.010
- (2009) Comp. Phys. Comm. , vol.180 , pp. 2622
- Alfe, D.¹

31
- 0000551515
- J. M. Dickey and A. Paskin, Phys. Rev. 188, 1407 (1969). PHRVAO 0031-899X 10.1103/PhysRev.188.1407
- (1969) Phys. Rev. , vol.188 , pp. 1407
- Dickey, J.M.¹ Paskin, A.²

32
- 84943790018
- pwtools", (unpublished)
- S. Schmerler, "pwtools", http://elcorto.bitbucket.org/pwtools/index.html (unpublished).
- Schmerler, S.¹

* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.