Danish Khan

6PUBLICATIONS
5CO-AUTHORS
Statistical mechanics in chemistryData structures and algorithmsReaction engineering (excl. nuclear reactions)EcohydrologyRadiation and matter
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Publications (6)

|Oct 10, 2025
SCAN based non-linear double hybrid density functional.

Danish Khan

|Oct 06, 2025
Generalized convolutional many-body distribution functional representations.

Danish Khan, O Anatole von Lilienfeld

|Jan 31, 2025
Adapting hybrid density functionals with machine learning.

Danish Khan, Alastair J A Price, Bing Huang

|Jan 22, 2025
Alchemical harmonic approximation based potential for iso-electronic diatomics: Foundational baseline for Δ-machine learning.

Simon León Krug, Danish Khan, O Anatole von Lilienfeld

|Jul 18, 2023
Kernel based quantum machine learning at record rate: Many-body distribution functionals as compact representations.

Danish Khan, Stefan Heinen, O Anatole von Lilienfeld

|Aug 12, 2022
An Interacting Quantum Atoms (IQA) and Relative Energy Gradient (REG) Analysis of the Anomeric Effect.

Danish Khan, Leonardo J Duarte, Paul L A Popelier

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