Projects per year
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Dive into the research topics where Lars A Bratholm is active. These topic labels come from the works of this person. Together they form a unique fingerprint.
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Projects
- 1 Finished
Research Output
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FCHL revisited: Faster and more accurate quantum machine learning
Christensen, A. S., Bratholm, L. A., Faber, F. A. & Anatole Von Lilienfeld, O., 31 Jan 2020, In : Journal of Chemical Physics. 152, 4, 16 p., 044107 (2020).Research output: Contribution to journal › Article (Academic Journal) › peer-review
Open AccessFile -
IMPRESSION – prediction of NMR parameters for 3-dimensional chemical structures using machine learning with near quantum chemical accuracy
Gerrard, W., Bratholm, L. A., Packer, M. J., Mulholland, A. J., Glowacki, D. R. & Butts, C. P., 20 Nov 2020, In : Chemical Science. 11, 2, p. 508-515 8 p.Research output: Contribution to journal › Article (Academic Journal) › peer-review
Open AccessFile -
Low dimensional representations along intrinsic reaction coordinates and molecular dynamics trajectories using interatomic distance matrices
Hare, S. R., Bratholm, L. A., Glowacki, D. R. & Carpenter, B. K., 18 Sep 2019, In : Chemical Science. 10, 43, p. 9954-9968Research output: Contribution to journal › Article (Academic Journal) › peer-review
Open AccessFile
Datasets
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Data from CHAMPS (02-2018)
Glowacki, D. R. (Creator), Wiggins, S. R. (Creator), Carpenter, B. (Creator), Shalashilin, D. (Creator), Holm, D. (Creator), Katsanikas, M. (Creator), Bratholm, L. A. (Creator), Krajnak, V. (Creator), Garcia-Meseguer, R. (Creator), Makhov, D. (Creator) & Carpenter, B. (Creator), University of Bristol, 14 Feb 2018
DOI: 10.5523/bris.35tigri6toah32f6txz3z8euo3, http://data.bris.ac.uk/data/dataset/35tigri6toah32f6txz3z8euo3
Dataset