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Theoretical and Computational Chemistry

Review

Molecular Quantum Chemical Data Sets and Databases for Machine Learning Potentials

Arif Ullah, Yuxinxin Chen, Pavlo O. Dral

Version 2 posted 16 October 2024

688

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Theoretical and Computational Chemistry

Working Paper

A comparative study of different machine learning methods for dissipative quantum dynamics

Luis E. Herrera Rodr ́ıguez, Arif Ullah, Kennet J. Rueda Espinosa, Pavlo O. Dral, Alexei A. Kananenka

Version 2 posted 13 September 2022

343

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Theoretical and Computational Chemistry

Working Paper

Four-dimensional spacetime atomistic artificial intelligence models

Fuchun Ge, Lina Zhang, Arif Ullah, Pavlo O. Dral

Version 1 posted 17 March 2022

498

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3

Citations

Theoretical and Computational Chemistry

Working Paper

MLQD: A package for machine learning-based quantum dissipative dynamics

Arif Ullah, Pavlo O. Dral

Version 3 posted 20 September 2023

407

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Theoretical and Computational Chemistry

Working Paper

One-shot trajectory learning of open quantum systems dynamics

ARIF ULLAH, Pavlo O. Dral

Version 2 posted 09 June 2022

167

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Physical Chemistry

Working Paper

QD3SET-1: A Database with Quantum Dissipative Dynamics Data Sets

Arif Ullah, Luis E. Herrera Rodr ́iguez, Pavlo O. Dral, Alexei A. Kananenka

Version 1 posted 20 January 2023

187

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Theoretical and Computational Chemistry

Working Paper

Speeding up quantum dissipative dynamics of open systems with kernel methods

Arif Ullah, Pavlo O. Dral

Version 2 posted 27 September 2021

488

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Theoretical and Computational Chemistry

Working Paper

Predicting the future of excitation energy transfer in light-harvesting complex with artificial intelligence-based quantum dynamics

Arif Ullah, Pavlo O. Dral

Version 2 posted 25 February 2022

548

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1

Citations

Theoretical and Computational Chemistry

Working Paper

From short-sighted to far-sighted: A comparative study of recursive machine learning approaches for open quantum systems

Arif Ullah

Version 1 posted 02 April 2025

14

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Refine Search

9 results in ARIF ULLAH in Authors: ARIF ULLAH

Molecular Quantum Chemical Data Sets and Databases for Machine Learning Potentials

A comparative study of different machine learning methods for dissipative quantum dynamics

Four-dimensional spacetime atomistic artificial intelligence models

MLQD: A package for machine learning-based quantum dissipative dynamics

One-shot trajectory learning of open quantum systems dynamics

QD3SET-1: A Database with Quantum Dissipative Dynamics Data Sets

Speeding up quantum dissipative dynamics of open systems with kernel methods

Predicting the future of excitation energy transfer in light-harvesting complex with artificial intelligence-based quantum dynamics

From short-sighted to far-sighted: A comparative study of recursive machine learning approaches for open quantum systems

9 results in Authors: ARIF ULLAH