DOI: 10.1039/c7sc04934j. The TensorMol-0.1 model chemistry: a neural network augmented with long-range physics

The TensorMol-0.1 model chemistry: a neural network augmented with long-range physics

10.1039/c7sc04934j

Crossref journal-article

Royal Society of Chemistry (RSC)

Chemical Science (292)

Abstract

We construct a robust chemistry consisting of a nearsighted neural network potential, TensorMol-0.1, with screened long-range electrostatic and van der Waals physics. It is offered in an open-source Python package and achieves millihartree accuracy and a scalability to tens-of-thousands of atoms on ordinary laptops.

Bibliography

Yao, K., Herr, J. E., Toth, D. W., Mckintyre, R., & Parkhill, J. (2018). The TensorMol-0.1 model chemistry: a neural network augmented with long-range physics. Chemical Science, 9(8), 2261â2269.

Authors 5

Kun Yao (first)
John E. Herr (additional)
David W. Toth (additional)
Ryker Mckintyre (additional)
John Parkhill (additional)

References 100 Referenced 386

10.1103/PhysRevB.89.235411 / Phys. Rev. B by Lopez-Bezanilla (2014)
10.1038/srep02810 / Sci. Rep. by Pilania (2013)
10.1103/PhysRevB.89.205118 / Phys. Rev. B by Schütt (2014)
10.1103/PhysRevLett.104.136403 / Phys. Rev. Lett. by Bartok (2010)
10.1038/s41598-017-08455-3 / Sci. Rep. by Kruglov (2017)
10.1063/1.4930194 / J. Chem. Phys. by Medders (2015)
10.1021/ct300913g / J. Chem. Theory Comput. by Medders (2013)
10.1063/1.4967719 / J. Chem. Phys. by Reddy (2016)
10.1063/1.4993213 / J. Chem. Phys. by Riera (2017)
10.1021/acs.jpclett.7b01106 / J. Phys. Chem. Lett. by Moberg (2017)
10.1021/acs.jpcb.7b09636 / J. Phys. Chem. B by John (2017)
10.1126/sciadv.1603015 / Sci. Adv. by Chmiela (2017)
10.1021/acs.jctc.6b00553 / J. Chem. Theory Comput. by Mones (2016)
10.1021/acs.jctc.5b01011 / J. Chem. Theory Comput. by Yao (2016)
10.1063/1.4834075 / J. Chem. Phys. by Snyder (2013)
10.1038/s41467-017-00839-3 / Nat. Commun. by Brockherde (2017)
10.1103/PhysRevLett.108.253002 / Phys. Rev. Lett. by Snyder (2012)
10.1002/qua.25040 / Int. J. Quantum Chem. by Li (2016)
10.1103/PhysRevB.94.245129 / Phys. Rev. B by Li (2016)
10.1002/qua.24939 / Int. J. Quantum Chem. by Vu (2015)
10.1063/1.4986081 / J. Chem. Phys. by McGibbon (2017)
10.1063/1.5006882 / J. Chem. Phys. by Wu (2017)
10.1021/acs.jctc.7b00779 / J. Chem. Theory Comput. by Fracchia (2018)
10.1021/acs.jctc.7b00521 / J. Chem. Theory Comput. by Li (2017)
10.1103/PhysRevLett.108.058301 / Phys. Rev. Lett. by Rupp (2012)
10.1021/acs.jpclett.5b00831 / J. Phys. Chem. Lett. by Hansen (2015)
10.1021/acs.jpclett.7b01046 / J. Phys. Chem. Lett. by Sun (2017)
10.1021/acs.jpclett.7b02010 / J. Phys. Chem. Lett. by Jinnouchi (2017)
10.1088/1367-2630/aa57bf / New J. Phys. by Ghiringhelli (2017)
R. Ouyang , S.Curtarolo , E.Ahmetcik , M.Scheffler and L. M.Ghiringhelli , arXiv preprint arXiv:1710.03319, 2017 by Ouyang (2017)
10.1038/ncomms15679 / Nat. Commun. by Isayev (2017)
A. Grisafi , D. M.Wilkins , G.Csanyi and M.Ceriotti , arXiv preprint arXiv:1709.06757, 2017 by Grisafi (2017)
10.1038/sdata.2017.127 / Sci. Data by Kim (2017)
10.1021/jz200866s / J. Phys. Chem. Lett. by Hachmann (2011)
10.1039/C3EE42756K / Energy Environ. Sci. by Hachmann (2014)
10.1021/cm503507h / Chem. Mater. by Isayev (2015)
10.1039/c1ee02056k / Energy Environ. Sci. by Olivares-Amaya (2011)
10.1021/acscatal.7b01648 / ACS Catal. by Ulissi (2017)
10.1021/jp9105585 / J. Phys. Chem. A by Handley (2010)
10.1063/1.5008887 / J. Chem. Phys. by Piquemal (2017)
10.1103/PhysRevA.96.042113 / Phys. Rev.A by Mills (2017)
10.1063/1.3431624 / J. Chem. Phys. by Malshe (2010)
10.1063/1.4960708 / J. Chem. Phys. by Peterson (2016)
10.1063/1.4990503 / J. Chem. Phys. by Cubuk (2017)
10.1021/acs.jpcb.7b08707 / J. Phys. Chem. B by Carpenter (2017)
10.1103/PhysRevLett.98.146401 / Phys. Rev. Lett. by Behler (2007)
10.1039/c1cp21668f / Phys. Chem. Chem. Phys. by Behler (2011)
10.1021/acs.jpclett.7b00784 / J. Phys. Chem. Lett. by Shakouri (2017)
10.1002/anie.201703114 / Angew. Chem., Int. Ed. by Behler (2017)
10.4208/cicp.OA-2017-0213 / Comm Comput Phys by Han (2018)
10.1038/nmat3078 / Nat. Mater. by Khaliullin (2011)
10.1039/C7SC02267K / Chem. Sci. by Gastegger (2017)
{'key': 'C7SC04934J-(cit53)/*[position()=1]', 'first-page': '053604', 'volume': '1', 'author': 'Kobayashi', 'year': '2017', 'journal-title': 'Phys. Rev. B: Condens. Matter Mater. Phys.'} / Phys. Rev. B: Condens. Matter Mater. Phys. by Kobayashi (2017)
10.1021/acs.jpclett.7b01072 / J. Phys. Chem. Lett. by Yao (2017)
10.1038/s41598-017-01251-z / Sci. Rep. by Kolb (2017)
N. Lubbers , J. S.Smith and K.Barros , arXiv preprint arXiv:1710.00017, 2017 by Lubbers (2017)
10.1016/j.cpc.2016.05.010 / Comput. Phys. Commun. by Khorshidi (2016)
10.1063/1.4973380 / J. Chem. Phys. by Yao (2017)
10.1002/qua.24795 / Int. J. Quantum Chem. by Manzhos (2015)
10.1016/j.cpc.2009.05.022 / Comput. Phys. Commun. by Manzhos (2009)
10.1063/1.4961454 / J. Chem. Phys. by Shao (2016)
10.1063/1.4897308 / J. Chem. Phys. by Zhang (2014)
10.1063/1.4921412 / J. Chem. Phys. by Li (2015)
10.1021/acs.jctc.5b00091 / J. Chem. Theory Comput. by Conte (2015)
10.1021/acs.jpclett.5b01660 / J. Phys. Chem. Lett. by Ma (2015)
10.1039/C7SC01247K / Chem. Sci. by Janet (2017)
10.1021/acs.jpca.7b08750 / J. Phys. Chem. A by Janet (2017)
10.1039/C7SC03542J / Chem. Sci. by Häse (2017)
T. Bereau , R. A.DiStasio Jr , A.Tkatchenko and O. A.von Lilienfeld , arXiv preprint arXiv:1710.05871, 2017 by Bereau (2017)
10.1021/acs.jctc.7b00577 / J. Chem. Theory Comput. by Faber (2017)
10.1038/ncomms13890 / Nat. Commun. by Schütt (2017)
10.1021/acs.analchem.7b02566 / Anal. Chem. by Zhou (2017)
10.1021/acs.jpclett.7b02364 / J. Phys. Chem. Lett. by Timoshenko (2017)
J. Li , D.Cai and X.He , arXiv preprint arXiv:1709.03741, 2017 by Li (2017)
10.1021/acs.jcim.7b00146 / J. Chem. Inf. Model. by Ramsundar (2017)
M. Segler , M.Preuß and M. P.Waller , arXiv preprint arXiv:1702.00020, 2017 by Segler (2017)
G. L. Guimaraes , B.Sanchez-Lengeling , P. L. C.Farias and A.Aspuru-Guzik , arXiv preprint arXiv:1705.10843, 2017 by Guimaraes (2017)
10.1021/acscentsci.6b00219 / ACS Cent. Sci. by Wei (2016)
R. Gómez-Bombarelli , D.Duvenaud , J. M.Hernández-Lobato , J.Aguilera-Iparraguirre , T. D.Hirzel , R. P.Adams and A.Aspuru-Guzik , arXiv preprint arXiv:1610.02415, 2016 by Gómez-Bombarelli (2016)
10.1002/jcc.20495 / J. Comput. Chem. by Grimme (2006)
10.1016/0301-0104(81)85176-2 / Chem. Phys. by Thole (1981)
10.1039/C6SC05720A / Chem. Sci. by Smith (2017)
10.1038/sdata.2017.193 / Sci. Data by Smith (2017)
10.1039/b810189b / Phys. Chem. Chem. Phys. by Chai (2008)
10.1016/j.cpc.2013.10.027 / Comput. Phys. Commun. by Ceriotti (2014)
10.1103/PhysRevB.95.094203 / Phys. Rev. B by Deringer (2017)
10.1021/jp401225b / J. Phys. Chem. A by Morawietz (2013)
10.1063/1.2206581 / J. Chem. Phys. by Fennell (2006)
10.1063/1.3682557 / J. Chem. Phys. by Morawietz (2012)
10.1103/PhysRevB.83.153101 / Phys. Rev. B by Artrith (2011)
D.-A. Clevert , T.Unterthiner and S.Hochreiter , arXiv preprint arXiv:1511.07289, 2015 by Clevert (2015)
J. E. Herr , K.Yao , R.McIntyre , D.Toth and J.Parkhill , arXiv preprint arXiv:1712.07240, 2017 by Herr (2017)
10.1080/00268976.2014.952696 / Mol. Phys. by Shao (2015)
{'key': 'C7SC04934J-(cit95)/*[position()=1]', 'first-page': '1929', 'volume': '15', 'author': 'Srivastava', 'year': '2014', 'journal-title': 'J. Mach. Learn. Res.'} / J. Mach. Learn. Res. by Srivastava (2014)
D. Kingma and J.Ba , arXiv preprint arXiv:1412.6980, 2014 by Kingma (2014)
10.1063/1.1329672 / J. Chem. Phys. by Henkelman (2000)
10.1103/PhysRevLett.100.020603 / Phys. Rev. Lett. by Barducci (2008)
10.1002/(SICI)1096-987X(199604)17:5/6<553::AID-JCC3>3.0.CO;2-T / J. Comput. Chem. by Halgren (1996)
10.1103/PhysRevLett.108.236402 / Phys. Rev. Lett. by Tkatchenko (2012)
10.1371/journal.pcbi.1005659 / PLoS Comput. Biol. by Eastman (2017)

Dates

Type	When
Created	7 years, 7 months ago (Jan. 17, 2018, 8:03 p.m.)
Deposited	1 year, 4 months ago (April 17, 2024, 3:40 p.m.)
Indexed	3 days, 5 hours ago (Aug. 29, 2025, 5:57 a.m.)
Issued	7 years, 8 months ago (Jan. 1, 2018)
Published	7 years, 8 months ago (Jan. 1, 2018)
Published Online	7 years, 8 months ago (Jan. 1, 2018)

Funders 0

None

BibTeX

@article{Yao_2018, title={The TensorMol-0.1 model chemistry: a neural network augmented with long-range physics}, volume={9}, ISSN={2041-6539}, url={http://dx.doi.org/10.1039/c7sc04934j}, DOI={10.1039/c7sc04934j}, number={8}, journal={Chemical Science}, publisher={Royal Society of Chemistry (RSC)}, author={Yao, Kun and Herr, John E. and Toth, David W. and Mckintyre, Ryker and Parkhill, John}, year={2018}, pages={2261–2269} }

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      "author": "Medders",
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      "DOI": "10.1021/acs.jctc.7b00779",
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      "author": "Fracchia",
      "year": "2018",
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    },
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      "author": "Li",
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      "first-page": "058301",
      "DOI": "10.1103/PhysRevLett.108.058301",
      "volume": "108",
      "author": "Rupp",
      "year": "2012",
      "journal-title": "Phys. Rev. Lett."
    },
    {
      "key": "C7SC04934J-(cit26)/*[position()=1]",
      "doi-asserted-by": "crossref",
      "first-page": "2326",
      "DOI": "10.1021/acs.jpclett.5b00831",
      "volume": "6",
      "author": "Hansen",
      "year": "2015",
      "journal-title": "J. Phys. Chem. Lett."
    },
    {
      "key": "C7SC04934J-(cit27)/*[position()=1]",
      "doi-asserted-by": "crossref",
      "first-page": "3434",
      "DOI": "10.1021/acs.jpclett.7b01046",
      "volume": "8",
      "author": "Sun",
      "year": "2017",
      "journal-title": "J. Phys. Chem. Lett."
    },
    {
      "key": "C7SC04934J-(cit28)/*[position()=1]",
      "doi-asserted-by": "crossref",
      "first-page": "4279",
      "DOI": "10.1021/acs.jpclett.7b02010",
      "volume": "8",
      "author": "Jinnouchi",
      "year": "2017",
      "journal-title": "J. Phys. Chem. Lett."
    },
    {
      "key": "C7SC04934J-(cit29)/*[position()=1]",
      "doi-asserted-by": "crossref",
      "first-page": "023017",
      "DOI": "10.1088/1367-2630/aa57bf",
      "volume": "19",
      "author": "Ghiringhelli",
      "year": "2017",
      "journal-title": "New J. Phys."
    },
    {
      "year": "2017",
      "author": "Ouyang",
      "key": "C7SC04934J-(cit30)/*[position()=1]",
      "unstructured": "R. Ouyang , S.Curtarolo , E.Ahmetcik , M.Scheffler and L. M.Ghiringhelli , arXiv preprint arXiv:1710.03319, 2017"
    },
    {
      "key": "C7SC04934J-(cit31)/*[position()=1]",
      "doi-asserted-by": "crossref",
      "first-page": "15679",
      "DOI": "10.1038/ncomms15679",
      "volume": "8",
      "author": "Isayev",
      "year": "2017",
      "journal-title": "Nat. Commun."
    },
    {
      "year": "2017",
      "author": "Grisafi",
      "key": "C7SC04934J-(cit32)/*[position()=1]",
      "unstructured": "A. Grisafi , D. M.Wilkins , G.Csanyi and M.Ceriotti , arXiv preprint arXiv:1709.06757, 2017"
    },
    {
      "key": "C7SC04934J-(cit33)/*[position()=1]",
      "doi-asserted-by": "crossref",
      "first-page": "170127",
      "DOI": "10.1038/sdata.2017.127",
      "volume": "4",
      "author": "Kim",
      "year": "2017",
      "journal-title": "Sci. Data"
    },
    {
      "key": "C7SC04934J-(cit34)/*[position()=1]",
      "doi-asserted-by": "crossref",
      "first-page": "2241",
      "DOI": "10.1021/jz200866s",
      "volume": "2",
      "author": "Hachmann",
      "year": "2011",
      "journal-title": "J. Phys. Chem. Lett."
    },
    {
      "key": "C7SC04934J-(cit35)/*[position()=1]",
      "doi-asserted-by": "crossref",
      "first-page": "698",
      "DOI": "10.1039/C3EE42756K",
      "volume": "7",
      "author": "Hachmann",
      "year": "2014",
      "journal-title": "Energy Environ. Sci."
    },
    {
      "key": "C7SC04934J-(cit36)/*[position()=1]",
      "doi-asserted-by": "crossref",
      "first-page": "735",
      "DOI": "10.1021/cm503507h",
      "volume": "27",
      "author": "Isayev",
      "year": "2015",
      "journal-title": "Chem. Mater."
    },
    {
      "key": "C7SC04934J-(cit37)/*[position()=1]",
      "doi-asserted-by": "crossref",
      "first-page": "4849",
      "DOI": "10.1039/c1ee02056k",
      "volume": "4",
      "author": "Olivares-Amaya",
      "year": "2011",
      "journal-title": "Energy Environ. Sci."
    },
    {
      "key": "C7SC04934J-(cit38)/*[position()=1]",
      "doi-asserted-by": "crossref",
      "first-page": "6600",
      "DOI": "10.1021/acscatal.7b01648",
      "volume": "7",
      "author": "Ulissi",
      "year": "2017",
      "journal-title": "ACS Catal."
    },
    {
      "key": "C7SC04934J-(cit39)/*[position()=1]",
      "doi-asserted-by": "crossref",
      "first-page": "3371",
      "DOI": "10.1021/jp9105585",
      "volume": "114",
      "author": "Handley",
      "year": "2010",
      "journal-title": "J. Phys. Chem. A"
    },
    {
      "key": "C7SC04934J-(cit40)/*[position()=1]",
      "doi-asserted-by": "crossref",
      "first-page": "161401",
      "DOI": "10.1063/1.5008887",
      "volume": "147",
      "author": "Piquemal",
      "year": "2017",
      "journal-title": "J. Chem. Phys."
    },
    {
      "key": "C7SC04934J-(cit41)/*[position()=1]",
      "doi-asserted-by": "crossref",
      "first-page": "042113",
      "DOI": "10.1103/PhysRevA.96.042113",
      "volume": "96",
      "author": "Mills",
      "year": "2017",
      "journal-title": "Phys. Rev.A"
    },
    {
      "key": "C7SC04934J-(cit42)/*[position()=1]",
      "doi-asserted-by": "crossref",
      "first-page": "204103",
      "DOI": "10.1063/1.3431624",
      "volume": "132",
      "author": "Malshe",
      "year": "2010",
      "journal-title": "J. Chem. Phys."
    },
    {
      "key": "C7SC04934J-(cit43)/*[position()=1]",
      "doi-asserted-by": "crossref",
      "first-page": "074106",
      "DOI": "10.1063/1.4960708",
      "volume": "145",
      "author": "Peterson",
      "year": "2016",
      "journal-title": "J. Chem. Phys."
    },
    {
      "key": "C7SC04934J-(cit44)/*[position()=1]",
      "doi-asserted-by": "crossref",
      "first-page": "024104",
      "DOI": "10.1063/1.4990503",
      "volume": "147",
      "author": "Cubuk",
      "year": "2017",
      "journal-title": "J. Chem. Phys."
    },
    {
      "key": "C7SC04934J-(cit45)/*[position()=1]",
      "doi-asserted-by": "publisher",
      "DOI": "10.1021/acs.jpcb.7b08707",
      "author": "Carpenter",
      "year": "2017",
      "journal-title": "J. Phys. Chem. B"
    },
    {
      "key": "C7SC04934J-(cit46)/*[position()=1]",
      "doi-asserted-by": "crossref",
      "first-page": "146401",
      "DOI": "10.1103/PhysRevLett.98.146401",
      "volume": "98",
      "author": "Behler",
      "year": "2007",
      "journal-title": "Phys. Rev. Lett."
    },
    {
      "key": "C7SC04934J-(cit47)/*[position()=1]",
      "doi-asserted-by": "crossref",
      "first-page": "17930",
      "DOI": "10.1039/c1cp21668f",
      "volume": "13",
      "author": "Behler",
      "year": "2011",
      "journal-title": "Phys. Chem. Chem. Phys."
    },
    {
      "key": "C7SC04934J-(cit48)/*[position()=1]",
      "doi-asserted-by": "crossref",
      "first-page": "2131",
      "DOI": "10.1021/acs.jpclett.7b00784",
      "volume": "8",
      "author": "Shakouri",
      "year": "2017",
      "journal-title": "J. Phys. Chem. Lett."
    },
    {
      "key": "C7SC04934J-(cit49)/*[position()=1]",
      "doi-asserted-by": "crossref",
      "first-page": "12828",
      "DOI": "10.1002/anie.201703114",
      "volume": "56",
      "author": "Behler",
      "year": "2017",
      "journal-title": "Angew. Chem., Int. Ed."
    },
    {
      "key": "C7SC04934J-(cit50)/*[position()=1]",
      "doi-asserted-by": "crossref",
      "first-page": "629",
      "DOI": "10.4208/cicp.OA-2017-0213",
      "volume": "23",
      "author": "Han",
      "year": "2018",
      "journal-title": "Comm Comput Phys"
    },
    {
      "key": "C7SC04934J-(cit51)/*[position()=1]",
      "doi-asserted-by": "crossref",
      "first-page": "693",
      "DOI": "10.1038/nmat3078",
      "volume": "10",
      "author": "Khaliullin",
      "year": "2011",
      "journal-title": "Nat. Mater."
    },
    {
      "key": "C7SC04934J-(cit52)/*[position()=1]",
      "doi-asserted-by": "crossref",
      "first-page": "6924",
      "DOI": "10.1039/C7SC02267K",
      "volume": "8",
      "author": "Gastegger",
      "year": "2017",
      "journal-title": "Chem. Sci."
    },
    {
      "key": "C7SC04934J-(cit53)/*[position()=1]",
      "first-page": "053604",
      "volume": "1",
      "author": "Kobayashi",
      "year": "2017",
      "journal-title": "Phys. Rev. B: Condens. Matter Mater. Phys."
    },
    {
      "issue": "12",
      "key": "C7SC04934J-(cit54)/*[position()=1]",
      "doi-asserted-by": "crossref",
      "first-page": "2689",
      "DOI": "10.1021/acs.jpclett.7b01072",
      "volume": "8",
      "author": "Yao",
      "year": "2017",
      "journal-title": "J. Phys. Chem. Lett."
    },
    {
      "key": "C7SC04934J-(cit55)/*[position()=1]",
      "doi-asserted-by": "crossref",
      "first-page": "1192",
      "DOI": "10.1038/s41598-017-01251-z",
      "volume": "7",
      "author": "Kolb",
      "year": "2017",
      "journal-title": "Sci. Rep."
    },
    {
      "year": "2017",
      "author": "Lubbers",
      "key": "C7SC04934J-(cit56)/*[position()=1]",
      "unstructured": "N. Lubbers , J. S.Smith and K.Barros , arXiv preprint arXiv:1710.00017, 2017"
    },
    {
      "key": "C7SC04934J-(cit57)/*[position()=1]",
      "doi-asserted-by": "crossref",
      "first-page": "310",
      "DOI": "10.1016/j.cpc.2016.05.010",
      "volume": "207",
      "author": "Khorshidi",
      "year": "2016",
      "journal-title": "Comput. Phys. Commun."
    },
    {
      "key": "C7SC04934J-(cit58)/*[position()=1]",
      "doi-asserted-by": "crossref",
      "first-page": "014106",
      "DOI": "10.1063/1.4973380",
      "volume": "146",
      "author": "Yao",
      "year": "2017",
      "journal-title": "J. Chem. Phys."
    },
    {
      "key": "C7SC04934J-(cit59)/*[position()=1]",
      "doi-asserted-by": "crossref",
      "first-page": "1012",
      "DOI": "10.1002/qua.24795",
      "volume": "115",
      "author": "Manzhos",
      "year": "2015",
      "journal-title": "Int. J. Quantum Chem."
    },
    {
      "key": "C7SC04934J-(cit60)/*[position()=1]",
      "doi-asserted-by": "crossref",
      "first-page": "2002",
      "DOI": "10.1016/j.cpc.2009.05.022",
      "volume": "180",
      "author": "Manzhos",
      "year": "2009",
      "journal-title": "Comput. Phys. Commun."
    },
    {
      "key": "C7SC04934J-(cit61)/*[position()=1]",
      "doi-asserted-by": "crossref",
      "first-page": "071101",
      "DOI": "10.1063/1.4961454",
      "volume": "145",
      "author": "Shao",
      "year": "2016",
      "journal-title": "J. Chem. Phys."
    },
    {
      "key": "C7SC04934J-(cit62)/*[position()=1]",
      "doi-asserted-by": "crossref",
      "first-page": "144309",
      "DOI": "10.1063/1.4897308",
      "volume": "141",
      "author": "Zhang",
      "year": "2014",
      "journal-title": "J. Chem. Phys."
    },
    {
      "key": "C7SC04934J-(cit63)/*[position()=1]",
      "doi-asserted-by": "crossref",
      "first-page": "204302",
      "DOI": "10.1063/1.4921412",
      "volume": "142",
      "author": "Li",
      "year": "2015",
      "journal-title": "J. Chem. Phys."
    },
    {
      "key": "C7SC04934J-(cit64)/*[position()=1]",
      "doi-asserted-by": "crossref",
      "first-page": "1631",
      "DOI": "10.1021/acs.jctc.5b00091",
      "volume": "11",
      "author": "Conte",
      "year": "2015",
      "journal-title": "J. Chem. Theory Comput."
    },
    {
      "key": "C7SC04934J-(cit65)/*[position()=1]",
      "doi-asserted-by": "crossref",
      "first-page": "3528",
      "DOI": "10.1021/acs.jpclett.5b01660",
      "volume": "6",
      "author": "Ma",
      "year": "2015",
      "journal-title": "J. Phys. Chem. Lett."
    },
    {
      "key": "C7SC04934J-(cit66)/*[position()=1]",
      "doi-asserted-by": "crossref",
      "first-page": "5137",
      "DOI": "10.1039/C7SC01247K",
      "volume": "8",
      "author": "Janet",
      "year": "2017",
      "journal-title": "Chem. Sci."
    },
    {
      "issue": "46",
      "key": "C7SC04934J-(cit67)/*[position()=1]",
      "doi-asserted-by": "crossref",
      "first-page": "8939",
      "DOI": "10.1021/acs.jpca.7b08750",
      "volume": "121",
      "author": "Janet",
      "year": "2017",
      "journal-title": "J. Phys. Chem. A"
    },
    {
      "key": "C7SC04934J-(cit68)/*[position()=1]",
      "doi-asserted-by": "crossref",
      "first-page": "8419",
      "DOI": "10.1039/C7SC03542J",
      "volume": "8",
      "author": "H\u00e4se",
      "year": "2017",
      "journal-title": "Chem. Sci."
    },
    {
      "year": "2017",
      "author": "Bereau",
      "key": "C7SC04934J-(cit69)/*[position()=1]",
      "unstructured": "T. Bereau , R. A.DiStasio Jr , A.Tkatchenko and O. A.von Lilienfeld , arXiv preprint arXiv:1710.05871, 2017"
    },
    {
      "issue": "11",
      "key": "C7SC04934J-(cit70)/*[position()=1]",
      "doi-asserted-by": "crossref",
      "first-page": "5255",
      "DOI": "10.1021/acs.jctc.7b00577",
      "volume": "13",
      "author": "Faber",
      "year": "2017",
      "journal-title": "J. Chem. Theory Comput."
    },
    {
      "key": "C7SC04934J-(cit71)/*[position()=1]",
      "doi-asserted-by": "crossref",
      "first-page": "13890",
      "DOI": "10.1038/ncomms13890",
      "volume": "8",
      "author": "Sch\u00fctt",
      "year": "2017",
      "journal-title": "Nat. Commun."
    },
    {
      "issue": "23",
      "key": "C7SC04934J-(cit72)/*[position()=1]",
      "doi-asserted-by": "crossref",
      "first-page": "12690",
      "DOI": "10.1021/acs.analchem.7b02566",
      "volume": "89",
      "author": "Zhou",
      "year": "2017",
      "journal-title": "Anal. Chem."
    },
    {
      "issue": "20",
      "key": "C7SC04934J-(cit73)/*[position()=1]",
      "doi-asserted-by": "crossref",
      "first-page": "5091",
      "DOI": "10.1021/acs.jpclett.7b02364",
      "volume": "8",
      "author": "Timoshenko",
      "year": "2017",
      "journal-title": "J. Phys. Chem. Lett."
    },
    {
      "year": "2017",
      "author": "Li",
      "key": "C7SC04934J-(cit74)/*[position()=1]",
      "unstructured": "J. Li , D.Cai and X.He , arXiv preprint arXiv:1709.03741, 2017"
    },
    {
      "key": "C7SC04934J-(cit75)/*[position()=1]",
      "doi-asserted-by": "crossref",
      "first-page": "2068",
      "DOI": "10.1021/acs.jcim.7b00146",
      "volume": "57",
      "author": "Ramsundar",
      "year": "2017",
      "journal-title": "J. Chem. Inf. Model."
    },
    {
      "year": "2017",
      "author": "Segler",
      "key": "C7SC04934J-(cit76)/*[position()=1]",
      "unstructured": "M. Segler , M.Preu\u00df and M. P.Waller , arXiv preprint arXiv:1702.00020, 2017"
    },
    {
      "year": "2017",
      "author": "Guimaraes",
      "key": "C7SC04934J-(cit77)/*[position()=1]",
      "unstructured": "G. L. Guimaraes , B.Sanchez-Lengeling , P. L. C.Farias and A.Aspuru-Guzik , arXiv preprint arXiv:1705.10843, 2017"
    },
    {
      "key": "C7SC04934J-(cit78)/*[position()=1]",
      "doi-asserted-by": "crossref",
      "first-page": "725",
      "DOI": "10.1021/acscentsci.6b00219",
      "volume": "2",
      "author": "Wei",
      "year": "2016",
      "journal-title": "ACS Cent. Sci."
    },
    {
      "year": "2016",
      "author": "G\u00f3mez-Bombarelli",
      "key": "C7SC04934J-(cit79)/*[position()=1]",
      "unstructured": "R. G\u00f3mez-Bombarelli , D.Duvenaud , J. M.Hern\u00e1ndez-Lobato , J.Aguilera-Iparraguirre , T. D.Hirzel , R. P.Adams and A.Aspuru-Guzik , arXiv preprint arXiv:1610.02415, 2016"
    },
    {
      "key": "C7SC04934J-(cit80)/*[position()=1]",
      "doi-asserted-by": "crossref",
      "first-page": "1787",
      "DOI": "10.1002/jcc.20495",
      "volume": "27",
      "author": "Grimme",
      "year": "2006",
      "journal-title": "J. Comput. Chem."
    },
    {
      "key": "C7SC04934J-(cit81)/*[position()=1]",
      "doi-asserted-by": "crossref",
      "first-page": "341",
      "DOI": "10.1016/0301-0104(81)85176-2",
      "volume": "59",
      "author": "Thole",
      "year": "1981",
      "journal-title": "Chem. Phys."
    },
    {
      "key": "C7SC04934J-(cit82)/*[position()=1]",
      "doi-asserted-by": "crossref",
      "first-page": "3192",
      "DOI": "10.1039/C6SC05720A",
      "volume": "8",
      "author": "Smith",
      "year": "2017",
      "journal-title": "Chem. Sci."
    },
    {
      "key": "C7SC04934J-(cit83)/*[position()=1]",
      "doi-asserted-by": "crossref",
      "first-page": "170193",
      "DOI": "10.1038/sdata.2017.193",
      "volume": "4",
      "author": "Smith",
      "year": "2017",
      "journal-title": "Sci. Data"
    },
    {
      "key": "C7SC04934J-(cit84)/*[position()=1]",
      "doi-asserted-by": "crossref",
      "first-page": "6615",
      "DOI": "10.1039/b810189b",
      "volume": "10",
      "author": "Chai",
      "year": "2008",
      "journal-title": "Phys. Chem. Chem. Phys."
    },
    {
      "key": "C7SC04934J-(cit85)/*[position()=1]",
      "doi-asserted-by": "crossref",
      "first-page": "1019",
      "DOI": "10.1016/j.cpc.2013.10.027",
      "volume": "185",
      "author": "Ceriotti",
      "year": "2014",
      "journal-title": "Comput. Phys. Commun."
    },
    {
      "key": "C7SC04934J-(cit86)/*[position()=1]",
      "doi-asserted-by": "crossref",
      "first-page": "094203",
      "DOI": "10.1103/PhysRevB.95.094203",
      "volume": "95",
      "author": "Deringer",
      "year": "2017",
      "journal-title": "Phys. Rev. B"
    },
    {
      "key": "C7SC04934J-(cit87)/*[position()=1]",
      "doi-asserted-by": "crossref",
      "first-page": "7356",
      "DOI": "10.1021/jp401225b",
      "volume": "117",
      "author": "Morawietz",
      "year": "2013",
      "journal-title": "J. Phys. Chem. A"
    },
    {
      "key": "C7SC04934J-(cit89)/*[position()=1]",
      "doi-asserted-by": "crossref",
      "first-page": "234104",
      "DOI": "10.1063/1.2206581",
      "volume": "124",
      "author": "Fennell",
      "year": "2006",
      "journal-title": "J. Chem. Phys."
    },
    {
      "key": "C7SC04934J-(cit90)/*[position()=1]",
      "doi-asserted-by": "crossref",
      "first-page": "064103",
      "DOI": "10.1063/1.3682557",
      "volume": "136",
      "author": "Morawietz",
      "year": "2012",
      "journal-title": "J. Chem. Phys."
    },
    {
      "key": "C7SC04934J-(cit91)/*[position()=1]",
      "doi-asserted-by": "crossref",
      "first-page": "153101",
      "DOI": "10.1103/PhysRevB.83.153101",
      "volume": "83",
      "author": "Artrith",
      "year": "2011",
      "journal-title": "Phys. Rev. B"
    },
    {
      "year": "2015",
      "author": "Clevert",
      "key": "C7SC04934J-(cit92)/*[position()=1]",
      "unstructured": "D.-A. Clevert , T.Unterthiner and S.Hochreiter , arXiv preprint arXiv:1511.07289, 2015"
    },
    {
      "year": "2017",
      "author": "Herr",
      "key": "C7SC04934J-(cit93)/*[position()=1]",
      "unstructured": "J. E. Herr , K.Yao , R.McIntyre , D.Toth and J.Parkhill , arXiv preprint arXiv:1712.07240, 2017"
    },
    {
      "key": "C7SC04934J-(cit94)/*[position()=1]",
      "doi-asserted-by": "crossref",
      "first-page": "184",
      "DOI": "10.1080/00268976.2014.952696",
      "volume": "113",
      "author": "Shao",
      "year": "2015",
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