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Pavlo O Dral

Showing results (1-10 of 81) with videos related to

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Chemical Communications (Cambridge, England)|March 6, 2024
AI in computational chemistry through the lens of a decade-long journeyPavlo O Dral
The Journal of Physical Chemistry Letters|March 4, 2020
Quantum Chemistry in the Age of Machine LearningPavlo O Dral
Journal of Computational Chemistry|June 21, 2019
MLatom: A program package for quantum chemical research assisted by machine learningPavlo O Dral
Journal of Molecular Modeling|February 19, 2014
The unrestricted local properties: application in nanoelectronics and for predicting radicals reactivityPavlo O Dral
The Journal of Physical Chemistry Letters|June 24, 2022
One-Shot Trajectory Learning of Open Quantum Systems DynamicsArif Ullah, Pavlo O Dral
Journal of Chemical Theory and Computation|September 12, 2025
One to Rule Them All: A Universal Interatomic Potential Learning across Quantum Chemical LevelsYuxinxin Chen, Pavlo O Dral
Physical Chemistry Chemical Physics : PCCP|June 23, 2017
On the feasibility of reactions through the fullerene wall: a theoretical study of NH<sub>x</sub>@C<sub>60</sub>Pavlo O Dral, Timothy Clark
The Journal of Physical Chemistry. A|August 19, 2011
Semiempirical UNO-CAS and UNO-CI: method and applications in nanoelectronicsPavlo O Dral, Timothy Clark
Chemical Science|August 14, 2025
AIQM2: organic reaction simulations beyond DFTYuxinxin Chen, Pavlo O Dral
Nature Communications|April 12, 2022
Predicting the future of excitation energy transfer in light-harvesting complex with artificial intelligence-based quantum dynamicsArif Ullah, Pavlo O Dral
Pageof 9

Showing results (1-10 of 81) with videos related to

Sort By:
Pageof 9
Chemical Communications (Cambridge, England)|March 6, 2024
AI in computational chemistry through the lens of a decade-long journeyPavlo O Dral
The Journal of Physical Chemistry Letters|March 4, 2020
Quantum Chemistry in the Age of Machine LearningPavlo O Dral
Journal of Computational Chemistry|June 21, 2019
MLatom: A program package for quantum chemical research assisted by machine learningPavlo O Dral
Journal of Molecular Modeling|February 19, 2014
The unrestricted local properties: application in nanoelectronics and for predicting radicals reactivityPavlo O Dral
The Journal of Physical Chemistry Letters|June 24, 2022
One-Shot Trajectory Learning of Open Quantum Systems DynamicsArif Ullah, Pavlo O Dral
Journal of Chemical Theory and Computation|September 12, 2025
One to Rule Them All: A Universal Interatomic Potential Learning across Quantum Chemical LevelsYuxinxin Chen, Pavlo O Dral
Physical Chemistry Chemical Physics : PCCP|June 23, 2017
On the feasibility of reactions through the fullerene wall: a theoretical study of NH<sub>x</sub>@C<sub>60</sub>Pavlo O Dral, Timothy Clark
The Journal of Physical Chemistry. A|August 19, 2011
Semiempirical UNO-CAS and UNO-CI: method and applications in nanoelectronicsPavlo O Dral, Timothy Clark
Chemical Science|August 14, 2025
AIQM2: organic reaction simulations beyond DFTYuxinxin Chen, Pavlo O Dral
Nature Communications|April 12, 2022
Predicting the future of excitation energy transfer in light-harvesting complex with artificial intelligence-based quantum dynamicsArif Ullah, Pavlo O Dral
Pageof 9