Fetching the paper…
Reading the bibliography…
We introduce a machine learning model to predict atomization energies of a diverse set of organic molecules, based on nuclear charges and atomic positions only.
P. Hohenberg and W. Kohn, Phys. Rev. 136
1964
Earlier work this paper cites.
W. Kohn and L. J. Sham, Phys. Rev. 140
1965
Earlier work this paper cites.
As summarized on http://www.wiredchemist.com/ chemistry/data/bond_energies_lengths.html: Huheey, pps. A-21 to A-34; T.L. Cottrell, ”The Strengths of Chemical Bonds,” 2nd ed., Butterworths, London, 1958; B. deB. Darwent, ”National Standard Reference Data Series,” National Bureau of Standards, No. 31, Washington, DC, 1970; S.W. Benson, J. Chem. Educ., 42, 502 (1965)
1965
Earlier work this paper cites.
A. D. Becke, J. Chem. Phys. 98
1993
Earlier work this paper cites.
J. P. Perdew, M. Ernzerhof, and K. Burke, J. Chem. Phys. 105
1996
Earlier work this paper cites.
K. R. Müller, M. Finke, N. Murata, K. Schulten, and S. Amari, Neural Comp. 8
1996
Earlier work this paper cites.
P. Ragué von Schleyer, N. Allinger, T. Clark, J. Gasteiger, P. Kollman, H.F. Schaefer III., and P. Schreiner, eds., Encyclopedia of Computational Chemistry (John Wiley and Sons, 1998)
1998
Earlier work this paper cites.
M. Ernzerhof and G. E. Scuseria, J. Chem. Phys. 110
1999
Earlier work this paper cites.
O. Ivanciuc, J. Chem. Inf. Comp. Sci. 40
2000
Earlier work this paper cites.
K.-R. Müller, S. Mika, G. Rätsch, K. Tsuda, and B. Schölkopf, IEEE Transactions on Neural Networks 12
2001
Earlier work this paper cites.
B. Schölkopf and A. J. Smola, Learning with Kernels (MIT Press, Cambridge, 2002)
2002
Earlier work this paper cites.
A. Brown, B. J. Braams, K. Christoffel, Z. Jin, and J. M. Bowman, J. Chem. Phys. 119
2003
Earlier work this paper cites.
B. J. Lynch and D. G. Truhlar, J. Phys. Chem. A 107
2003
Cited alongside, same era.
J.-L. Faulon, D. P. Visco, Jr., and R. S. Pophale, J. Chem. Inf. Comp. Sci. 43
2003
Cited alongside, same era.
P. Kirkpatrick and C. Ellis, Nature 432
2004
Cited alongside, same era.
S. Lorenz, A. Gross, and M. Scheffler, Chem. Phys. Lett. 395
2004
Cited alongside, same era.
O. A. von Lilienfeld, R. Lins, and U. Rothlisberger, Phys. Rev. Lett. 95
2005
Cited alongside, same era.
O. A. von Lilienfeld and M. E. Tuckerman, J. Chem. Phys. 125
2006
Cited alongside, same era.
C. M. Handley and P. L. A. Popelier, J. Chem. Theory Comput. 5
2009
Later among the works it cites.
L. C. Blum and J.-L. Reymond, J. Am. Chem. Soc. 131
2009
Later among the works it cites.
V. Blum, R. Gehrke, F. Hanke, P. Havu, V. Havu, X. Ren, K. Reuter, and M. Scheffler, Comput. Phys. Comm. 180
2009
Later among the works it cites.
T. Hastie, R. Tibshirani, and J. Friedman, The Elements of Statistical Learning. Data Mining, Inference, and Prediction (Springer, New York, 2009), 2nd ed
2009
Later among the works it cites.
O. A. von Lilienfeld, J. Chem. Phys. 131
2009
Later among the works it cites.
A. P. Bartók, M. C. Payne, R. Kondor, and G. Csányi, Phys. Rev. Lett. 104
2010
Later among the works it cites.
alphaXiv searches the wider corpus for related work and actual follow-ups.
alphaXiv is searching for related work…
2006
Cited alongside, same era.
J. Behler and M. Parrinello, Phys. Rev. Lett. 98
2007
Cited alongside, same era.
J. J. P. Stewart, J. Mol. Modeling 13
2007
Cited alongside, same era.
R. R. Coifman, I. G. Kevrekidis, S. Lafon, M. Maggioni, and B. Nadler, Multiscale Mod. Sim. 7
2008
Cited alongside, same era.
J. Behler, R. Martonak, D. Donadio, and M. Parrinello, Phys. Rev. Lett. 100
2008
Cited alongside, same era.
MOPAC2009, James J. P. Stewart, Stewart Computational Chemistry, Colorado Springs, CO, USA, HTTP://OpenMOPAC.net (2008)
2008
Cited alongside, same era.
G. Hautier, C. C. Fischer, A. Jain, T. Mueller, and G. Ceder, Chem. Mater. 22
2010
Later among the works it cites.
G. Schneider, Nature Reviews 9
2010
Later among the works it cites.
T.-C. Lim, Mol. Phys. 108
2010
Later among the works it cites.
D. Sheppard, G. Henkelman, and O. A. von Lilienfeld, J. Chem. Phys. 133
2010
Later among the works it cites.
M. E. Tuckerman, Statistical mechanics: Theory and molecular simulation (Oxford University Press, 2010)
2010
Later among the works it cites.
J. Behler, J. Chem. Phys. 134
2011
Closest in time.