DOI: 10.1103/physrevb.89.205118. How to represent crystal structures for machine learning: Towards fast prediction of electronic properties

How to represent crystal structures for machine learning: Towards fast prediction of electronic properties

10.1103/physrevb.89.205118

Crossref journal-article

American Physical Society (APS)

Physical Review B (16)

Bibliography

SchÃ¼tt, K. T., Glawe, H., Brockherde, F., Sanna, A., MÃ¼ller, K. R., & Gross, E. K. U. (2014). How to represent crystal structures for machine learning: Towards fast prediction of electronic properties. Physical Review B, 89(20).

Authors 6

K. T. Schütt (first)
H. Glawe (additional)
F. Brockherde (additional)
A. Sanna (additional)
K. R. Müller (additional)
E. K. U. Gross (additional)

References 32 Referenced 403

10.1016/j.calphad.2005.04.003
10.1063/1.2210932
10.1088/0953-8984/23/5/053201
10.1088/0957-0233/16/1/039
10.1126/science.1122152
10.1021/cm203243x
10.1021/cm400199j
10.1021/jp806351d
10.1039/c1ee02056k
10.1002/adfm.201300807
10.1016/j.ces.2010.01.024
10.1103/PhysRevB.87.184115
{'key': 'PhysRevB.89.205118Cc14R1', 'first-page': '1875', 'volume': '9', 'author': 'M. L. Braun', 'year': '2008', 'journal-title': 'J. Mach. Learn. Res.'} / J. Mach. Learn. Res. by M. L. Braun (2008)
10.1103/PhysRevLett.108.058301
{'key': 'PhysRevB.89.205118Cc16R1', 'volume-title': 'Advances in Neural Information Processing Systems', 'author': 'G. Montavon', 'year': '2012'} / Advances in Neural Information Processing Systems by G. Montavon (2012)
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{'key': 'PhysRevB.89.205118Cc21R1', 'volume-title': 'Learning with Kernels: Support Vector Machines, Regularization, Optimization and Beyond', 'author': 'B. Schölkopf', 'year': '2002'} / Learning with Kernels: Support Vector Machines, Regularization, Optimization and Beyond by B. Schölkopf (2002)
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10.1103/PhysRev.140.A1133
10.1103/PhysRev.136.B864
10.1103/PhysRevB.23.5048
10.1088/0953-8984/21/39/395502
10.1103/PhysRevB.13.5188

Dates

Type	When
Created	11 years, 3 months ago (May 21, 2014, 5:16 p.m.)
Deposited	8 years, 2 months ago (June 22, 2017, 9:37 a.m.)
Indexed	1 week, 4 days ago (Aug. 12, 2025, 5:29 p.m.)
Issued	11 years, 3 months ago (May 21, 2014)
Published	11 years, 3 months ago (May 21, 2014)
Published Online	11 years, 3 months ago (May 21, 2014)

Funders 0

None

BibTeX

@article{Sch_tt_2014, title={How to represent crystal structures for machine learning: Towards fast prediction of electronic properties}, volume={89}, ISSN={1550-235X}, url={http://dx.doi.org/10.1103/physrevb.89.205118}, DOI={10.1103/physrevb.89.205118}, number={20}, journal={Physical Review B}, publisher={American Physical Society (APS)}, author={Schütt, K. T. and Glawe, H. and Brockherde, F. and Sanna, A. and Müller, K. R. and Gross, E. K. U.}, year={2014}, month=may }

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