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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

533

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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

428

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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

176

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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

194

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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

564

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1

Citations

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

505

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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

370

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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

849

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Theoretical and Computational Chemistry

Working Paper

Aitomia: Your Intelligent Assistant for AI-Driven Atomistic and Quantum Chemical Simulations

Jinming Hu, Hassan Nawaz, Yuting Rui, Lijie Chi, Arif Ullah, Pavlo O. Dral

Version 1 posted 13 May 2025

63

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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 2 posted 25 April 2025

88

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Refine Search

10 results in Arif Ullah in Authors: Arif Ullah

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

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

Speeding up quantum dissipative dynamics of open systems with kernel methods

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

Molecular Quantum Chemical Data Sets and Databases for Machine Learning Potentials

Aitomia: Your Intelligent Assistant for AI-Driven Atomistic and Quantum Chemical Simulations

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

10 results in Authors: Arif Ullah