DOI: 10.1103/physrevlett.120.026102. On-the-Fly Machine Learning of Atomic Potential in Density Functional Theory Structure Optimization

On-the-Fly Machine Learning of Atomic Potential in Density Functional Theory Structure Optimization

10.1103/physrevlett.120.026102

Crossref journal-article

American Physical Society (APS)

Physical Review Letters (16)

Bibliography

Jacobsen, T. L., JÃ¸rgensen, M. S., & Hammer, B. (2018). On-the-Fly Machine Learning of Atomic Potential in Density Functional Theory Structure Optimization. Physical Review Letters, 120(2).

Authors 3

T. L. Jacobsen (first)
M. S. Jørgensen (additional)
B. Hammer (additional)

References 45 Referenced 116

Dates

Type	When
Created	7 years, 7 months ago (Jan. 12, 2018, 10:05 a.m.)
Deposited	7 months, 2 weeks ago (Jan. 2, 2025, 4:53 p.m.)
Indexed	2 weeks, 5 days ago (Aug. 2, 2025, 12:50 a.m.)
Issued	7 years, 7 months ago (Jan. 12, 2018)
Published	7 years, 7 months ago (Jan. 12, 2018)
Published Online	7 years, 7 months ago (Jan. 12, 2018)

Funders 2

Natur og Univers, Det Frie Forskningsråd 10.13039/100008394
Region: Europe
gov (National government)
Labels5
1. Det Frie Forskningsråd, Natur og Univers
2. DFF Natur og Univers
3. Natural Sciences, Danish Council for Independent Research
4. Danish Council for Independent Research Natural Sciences
5. FNU, DFF
Awards1
1. 0602-02566B
Villum Fonden 10.13039/100008398
Region: Europe
pri (Trusts, charities, foundations (both public and private))
Labels1
1. Villum Foundation
Awards1
1. 16562

BibTeX

@article{Jacobsen_2018, title={On-the-Fly Machine Learning of Atomic Potential in Density Functional Theory Structure Optimization}, volume={120}, ISSN={1079-7114}, url={http://dx.doi.org/10.1103/physrevlett.120.026102}, DOI={10.1103/physrevlett.120.026102}, number={2}, journal={Physical Review Letters}, publisher={American Physical Society (APS)}, author={Jacobsen, T. L. and Jørgensen, M. S. and Hammer, B.}, year={2018}, month=jan }

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