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Title: Understanding X-ray Spectroscopy of Carbonaceous Materials by Combining Experiments, Density Functional Theory, and Machine Learning. Part I: Fingerprint Spectra

ORCiD logo [1]; ORCiD logo [2]; ORCiD logo [3]; ORCiD logo [1]; ORCiD logo [4]
  1. Department of Electrical Engineering and Automation, School of Electrical Engineering, Aalto University, 02150 Espoo, Finland
  2. Department of Engineering, University of Cambridge, Cambridge CB2 1PZ, United Kingdom
  3. Stanford Synchrotron Radiation Lightsource, SLAC National Accelerator Laboratory, Menlo Park, California 94025, United States
  4. Department of Electrical Engineering and Automation, School of Electrical Engineering, Aalto University, 02150 Espoo, Finland; Department of Applied Physics, Aalto University, 02150 Espoo, Finland
Publication Date:
Research Org.:
Aalto Univ., Otaniemi (Finland); SLAC National Accelerator Lab., Menlo Park, CA (United States)
Sponsoring Org.:
USDOE Office of Science (SC), Basic Energy Sciences (BES)
OSTI Identifier:
Alternate Identifier(s):
OSTI ID: 1575919; OSTI ID: 1596276
Grant/Contract Number:  
AC02-76SF00515; 310574; 285526; 730897
Resource Type:
Published Article
Journal Name:
Chemistry of Materials
Additional Journal Information:
Journal Name: Chemistry of Materials Journal Volume: 31 Journal Issue: 22; Journal ID: ISSN 0897-4756
American Chemical Society (ACS)
Country of Publication:
United States

Citation Formats

Aarva, Anja, Deringer, Volker L., Sainio, Sami, Laurila, Tomi, and Caro, Miguel A. Understanding X-ray Spectroscopy of Carbonaceous Materials by Combining Experiments, Density Functional Theory, and Machine Learning. Part I: Fingerprint Spectra. United States: N. p., 2019. Web. doi:10.1021/acs.chemmater.9b02049.
Aarva, Anja, Deringer, Volker L., Sainio, Sami, Laurila, Tomi, & Caro, Miguel A. Understanding X-ray Spectroscopy of Carbonaceous Materials by Combining Experiments, Density Functional Theory, and Machine Learning. Part I: Fingerprint Spectra. United States. doi:
Aarva, Anja, Deringer, Volker L., Sainio, Sami, Laurila, Tomi, and Caro, Miguel A. Mon . "Understanding X-ray Spectroscopy of Carbonaceous Materials by Combining Experiments, Density Functional Theory, and Machine Learning. Part I: Fingerprint Spectra". United States. doi:
title = {Understanding X-ray Spectroscopy of Carbonaceous Materials by Combining Experiments, Density Functional Theory, and Machine Learning. Part I: Fingerprint Spectra},
author = {Aarva, Anja and Deringer, Volker L. and Sainio, Sami and Laurila, Tomi and Caro, Miguel A.},
abstractNote = {},
doi = {10.1021/acs.chemmater.9b02049},
journal = {Chemistry of Materials},
number = 22,
volume = 31,
place = {United States},
year = {2019},
month = {10}

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