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First principles based exploration of chemical space deepens our understanding of chemistry, and might help with the design of new materials or experiments.
B. M. Axilrod, E. Teller, J. Chem. Phys
1943
Earlier work this paper cites.
Y. Muto, J. Phys.-Math. Soc. Japan
1943
Earlier work this paper cites.
R. P. Feynman, R. B. Leighton, M. Sands, The Feynman lectures on physics. Vol. 1
1963
Earlier work this paper cites.
W. J. Hehre, R. Ditchfield, L. Radom, J. A. Pople, J. Am. Chem. Soc
1970
Earlier work this paper cites.
M. Doran, I. Zucker, J. Phys. C: Sol. Stat. Phys
1971
Earlier work this paper cites.
Y. Okada, Y. Tokumaru, J. Appl. Phys
1984
Earlier work this paper cites.
R. F. Bader, Atoms in molecules
1990
Earlier work this paper cites.
B. Farid, R. Godby, Phys. Rev. B
1991
Earlier work this paper cites.
P. E. Blöchl, Phys. Rev. B
1994
Earlier work this paper cites.
W. Hierse and E. B. Stechel, Phys. Rev. B
1994
Earlier work this paper cites.
G. Kresse, J. Furthmüller, Comp. Mat. Sci
1996
Earlier work this paper cites.
J. P. Perdew, K. Burke, M. Ernzerhof, Phys. Rev. Lett
1996
Earlier work this paper cites.
T. A. Halgren, J. Comp. Chem
1999
Earlier work this paper cites.
S. Goedecker, Rev. Mod. Phys
1999
Earlier work this paper cites.
W. Koch, M. C. Holthausen, A Chemist’s Guide to Density Functional Theory
2002
Earlier work this paper cites.
R. M. Martin, Electronic structure: basic theory and practical methods
2004
Earlier work this paper cites.
E. Prodan, W. Kohn, Proc. Natl. Acad. Sci. USA
2005
Earlier work this paper cites.
T. James, D. J. Wales, J. Hernández-Rojas, Chem. Phys. Lett
2005
Earlier work this paper cites.
C. Rasmussen, C. Williams, Gaussian Processes for Machine Learning
2006
Earlier work this paper cites.
TURBOMOLE V6.2 2010, a development of University of Karlsruhe and Forschungszentrum Karlsruhe GmbH, 1989-2007, TURBOMOLE GmbH, since 2007; available from http://www.turbomole.com
2007
Earlier work this paper cites.
S. Lu, J. Pan, A. Huang, L. Zhuang, J. Lu, Proc. Natl. Acad. Sci. USA
2008
Earlier work this paper cites.
M. J. Frisch, et al
2009
Cited alongside, same era.
M. Mantina, A. C. Chamberlin, R. Valero, C. J. Cramer, D. G. Truhlar, The Journal of Physical Chemistry A
2009
Cited alongside, same era.
A. P. Bartók, M. C. Payne, R. Kondor, G. Csányi, Phys. Rev. Lett
2010
Cited alongside, same era.
S. D. Yeole, S. R. Gadre, The Journal of Chemical Physics
2010
Cited alongside, same era.
J. B. Reece, et al
2011
Cited alongside, same era.
N. M. O’Boyle, et al
2011
Cited alongside, same era.
M. Rupp, A. Tkatchenko, K.-R. Müller, O. A. von Lilienfeld, Phys. Rev. Lett
2012
M. Rupp, R. Ramakrishnan, O. A. von Lilienfeld, J. Phys. Chem. Lett
2015
Later among the works it cites.
R. Ramakrishnan, O. A. von Lilienfeld, CHIMIA
2015
Later among the works it cites.
O. A. von Lilienfeld, R. Ramakrishnan, M. Rupp, A. Knoll, Int. J. Quantum Chem
2015
Later among the works it cites.
K. Hansen, F. Biegler, O. A. von Lilienfeld, K.-R. Müller, A. Tkatchenko, J. Phys. Chem. Lett
2015
Later among the works it cites.
F. A. Faber, A. Lindmaa, O. A. von Lilienfeld, R. Armiento, Phys. Rev. Lett
2016
Later among the works it cites.
S. De, A. P. Bartok, G. Csanyi, M. Ceriotti, Phys. Chem. Chem. Phys
2016
Later among the works it cites.
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Cited alongside, same era.
M. S. Gordon, D. G. Fedorov‡Spencer, R. Pruitt and L. V. Slipchenko, Chem. Rev
2012
Cited alongside, same era.
L. Ruddigkeit, R. van Deursen, L. C. Blum, J.-L. Reymond, J. Chem. Inf. Model
2012
Cited alongside, same era.
F. Neese, WIREs: Comput Molecul Sci
2012
Cited alongside, same era.
G. Pilania, C. Wang, X. Jiang, S. Rajasekaran, R. Ramprasad, Scientific reports
2013
Cited alongside, same era.
O. A. von Lilienfeld, Int. J. Quantum Chem
2013
Cited alongside, same era.
B. Huang, O. A. von Lilienfeld, J. Chem. Phys
2016
Later among the works it cites.
K. T. Schütt, F. Arbabzadah, S. Chmiela, K. R. Müller, A. Tkatchenko, Nat. Commun
2017
Closest in time.
J. S. Smith, O. Isayev and A. E. Roitberg, Chem. Sci
2017
Closest in time.
S. Fias, F. Heidar-Zadeh, P. Geerlings, P. W. Ayers, Proc. Natl. Acad. Sci. USA
2017
Closest in time.
F. A. Faber, et al
2017
Closest in time.
M. G. Medvedev, I. S. Bushmarinov, J. Sun, J. P. Perdew, K. A. Lyssenko, Science
2017
Closest in time.
Oechem toolkit 2.1.2, openeye scientific software (2017)
2017
Closest in time.
T. Xie, J. C. Grossman, Phys. Rev. Lett
2018
Closest in time.
K. T. Schütt, H. E. Sauceda, P.-J. Kindermans, A. Tkatchenko and K.-R. Müller, J. Chem. Phys
2018
Closest in time.
K. Gubaev, E. V. Podryabinkin and A. V. Shapeev, J. Chem. Phys
2018
Closest in time.
G. Imbalzano, A. Anelli, D. Giofré, S. Klees, J. Behler and M. Ceriotti, J. Chem. Phys
2018
Closest in time.
F. A. Faber, A. S. Christensen, B. Huang, O. A. von Lilienfeld, J. Chem. Phys
2018
Closest in time.
O. A. von Lilienfeld, Angew. Chem. Int. Ed
2018
Closest in time.
B. Huang, A. von Lilienfeld, AQML: Amons-based quantum machine learning code for quantum chemistry, https://github.com/binghuang2018/aqml (2020)
2020
Closest in time.