scholarly journals “Inverting” X-ray Absorption Spectra of Catalysts by Machine Learning in Search for Activity Descriptors

ACS Catalysis ◽  
2019 ◽  
Vol 9 (11) ◽  
pp. 10192-10211 ◽  
Author(s):  
Janis Timoshenko ◽  
Anatoly I. Frenkel
Keyword(s):  
Machine Learning ◽  
Absorption Spectra ◽  
X Ray ◽  
X Ray Absorption

scholarly journals Machine-Learning X-Ray Absorption Spectra to Quantitative Accuracy

2020 ◽  
Vol 124 (15) ◽  
Author(s):  
Matthew R. Carbone ◽  
Mehmet Topsakal ◽  
Deyu Lu ◽  
Shinjae Yoo
Keyword(s):  
Machine Learning ◽  
Absorption Spectra ◽  
X Ray ◽  
Quantitative Accuracy ◽  
X Ray Absorption

Electronic Structure and X-ray Absorption Spectra of Rutile TiO2 Using First-Principles Calculations

2014 ◽  
Vol 52 (12) ◽  
pp. 1025-1029
Author(s):  
Min-Wook Oh ◽  
Tae-Gu Kang ◽  
Byungki Ryu ◽  
Ji Eun Lee ◽  
Sung-Jae Joo ◽  
...  
Keyword(s):  
Electronic Structure ◽  
Absorption Spectra ◽  
First Principles ◽  
First Principles Calculations ◽  
Rutile Tio2 ◽  
X Ray ◽  
X Ray Absorption

scholarly journals Theoretical description of optical and x-ray absorption spectra of MgO including many-body effects

2021 ◽  
Vol 103 (19) ◽  
Author(s):  
Vijaya Begum ◽  
Markus E. Gruner ◽  
Christian Vorwerk ◽  
Claudia Draxl ◽  
Rossitza Pentcheva
Keyword(s):  
Absorption Spectra ◽  
Theoretical Description ◽  
Many Body ◽  
X Ray ◽  
Many Body Effects ◽  
X Ray Absorption

scholarly journals Soft X-ray absorption spectra in the CK region of carbon black and spectral analysis using the discrete variational Xα method

TANSO ◽  
2009 ◽  
Vol 2009 (236) ◽  
pp. 2-8 ◽  
Author(s):  
Yasuji Muramatsu ◽  
Ryusuke Harada ◽  
Muneyuki Motoyama ◽  
Eric M. Gullikson
Keyword(s):  
Spectral Analysis ◽  
Carbon Black ◽  
Absorption Spectra ◽  
X Ray ◽  
X Ray Absorption
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