Concepedia

Kanishka Singh

KS

2

Publications

73

Citations

2

H-Index

2022

Active since

Affiliations

Helmholtz-Zentrum Berlin für Materialien und Energie(Current)

Freie Universität Berlin

Kanishka Singh is an author at Helmholtz-Zentrum Berlin für Materialien und Energie specializing in machine learning, data science, and biophysics.

Top concepts

ChemistryBiophysicsEngineeringData ScienceMachine LearningNatural SciencesQuantum ChemistryComputational ChemistryPhysicsGraph Theory

Publications per year

2022–2023

2

Publications

2

Integrating Explainability into Graph Neural Network Models for the Prediction of X-ray Absorption Spectra

Amir Kotobi, Kanishka Singh, Daniel Höche et al. · Journal of the American Chemical Society · 2023 · 39 citations · Full text

X-ray Absorption Spectra, X-ray Spectroscopy, Machine Learning +19

Graph Neural Networks for Learning Molecular Excitation Spectra

Kanishka Singh, Jannes Münchmeyer, Leon Weber et al. · Journal of Chemical Theory and Computation · 2022 · 34 citations

Organic Molecules, Graph Neural Networks, Engineering +15

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