Kanishka Singh

Publication Activity (10 Years)

Years Active: 2022-2024
Publications (10 Years): 5

Top Topics

Density Functional Theory

Machine Learning

Top Venues

Journal of computational chemistry

Journal of the American Chemical Society

Journal of chemical theory and computation

This page only lists publications with an associated author ORCID identifier.

Publications

Kanishka Singh, Ka Hei Lee, Daniel Peláez, Annika Bande
Accelerating wavepacket propagation with machine learning. Journal of computational chemistry 45 (28) (2024)
Kanishka Singh, Ka Hei Lee, Daniel Peláez, Annika Bande
Accelerating wavepacket propagation with machine learning. Journal of computational chemistry (2024)
Kanishka Singh, Ka Hei Lee, Daniel Peláez, Annika Bande
Accelerating wavepacket propagation with machine learning. Journal of computational chemistry 45 (28) (2024)
Amir Kotobi, Kanishka Singh, Daniel Höche, Sadia Bari, Robert H Meißner, Annika Bande
Integrating Explainability into Graph Neural Network Models for the Prediction of X-ray Absorption Spectra. Journal of the American Chemical Society (2023)
Kanishka Singh, Jannes Münchmeyer, Leon Weber, Ulf Leser, Annika Bande
Graph Neural Networks for Learning Molecular Excitation Spectra. Journal of chemical theory and computation 18 (7) (2022)