Work

The resolution- vs. -accuracy dilemma in machine learning modeling of electronic excitation spectra

Year: 2022

Type: article

Abstract: We present electronic ground and excited state properties of a new chemical space dataset, and suggest a strategy for efficient machine learning modeling of electronic spectral intensities.

Source: Digital Discovery

DOI: 10.1039/d1dd00031d

Authors: Prakriti Kayastha, Sabyasachi Chakraborty, Raghunathan Ramakrishnan

Institution: Tata Institute of Fundamental Research

Language: English

Topic: Machine Learning in Materials Science

Subfield: Materials Chemistry

Field: Materials Science

Domain: Physical Sciences

Open Access status: diamond

Funders: Tata Institute of Fundamental Research, Department of Atomic Energy, Government of India

Awards: G3066326242, G3891155077, G516658781

OpenAlex ID: W4293385109

FWCI: 0.939

Cites: 88

Cited by: 16

Related to: 10