Search

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

532

Downloads

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

186

Downloads

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

547

Downloads

3

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 2 posted 25 April 2025

116

Downloads

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

915

Downloads

1

Citations

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

202

Downloads

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

452

Downloads

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

583

Downloads

1

Citations

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

381

Downloads

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

167

Downloads

Refine Search

10 results in Arif Ullah in Authors: Arif Ullah

Speeding up quantum dissipative dynamics of open systems with kernel methods

One-shot trajectory learning of open quantum systems dynamics

Four-dimensional spacetime atomistic artificial intelligence models

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

Molecular Quantum Chemical Data Sets and Databases for Machine Learning Potentials

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

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

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

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

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

10 results in Authors: Arif Ullah