Tetiana Zubatiuk

Affiliations

Department of Chemistry, Mellon College of Science, Carnegie Mellon University, Pittsburgh, Pennsylvania 15213, United States.

Publications (6)

Development of Multimodal Machine Learning Potentials: Toward a Physics-Aware Artificial Intelligence.

Accounts of chemical research

Avec: Olexandr Isayev

Effect of Microenvironment on the Geometrical Structure of d(A)

The journal of physical chemistry. B

Avec: Leonid Gorb , Anatolii Pekh , Alexey Nyporko , Mykola Ilchenko , Anastasiia Golius , Roman Zubatyuk , Igor Dubey , Dmytro M Hovorun , Jerzy Leszczynski

The structure of DNA fragments: Quantum-chemical modelling.

BBA advances

Avec: Leonid Gorb , Oleg V Shishkin ,

How water affects mercury-halogen interaction in the atmosphere.

Journal of molecular modeling

Avec: Glake Hill , Jerzy Leszczynski

Machine learned Hückel theory: Interfacing physics and deep neural networks.

The Journal of chemical physics

Avec: Benjamin Nebgen , Nicholas Lubbers , Justin S Smith , Roman Zubatyuk , Guoqing Zhou , Christopher Koh , Kipton Barros , Olexandr Isayev , Sergei Tretiak

Auto3D: Automatic Generation of the Low-Energy 3D Structures with ANI Neural Network Potentials.

Journal of chemical information and modeling

Avec: Zhen Liu , Adrian Roitberg , Olexandr Isayev

Réseau de co-auteurs

Olexandr Isayev 3 collaborations

Leonid Gorb 2 collaborations

Roman Zubatyuk 2 collaborations

Jerzy Leszczynski 2 collaborations

Anatolii Pekh 1 collaboration

Alexey Nyporko 1 collaboration

Mykola Ilchenko 1 collaboration

Anastasiia Golius 1 collaboration

Igor Dubey 1 collaboration

Dmytro M Hovorun 1 collaboration

Oleg V Shishkin 1 collaboration

Glake Hill 1 collaboration

Benjamin Nebgen 1 collaboration

Nicholas Lubbers 1 collaboration

Justin S Smith 1 collaboration

Guoqing Zhou 1 collaboration

Christopher Koh 1 collaboration

Kipton Barros 1 collaboration

Sergei Tretiak 1 collaboration

Zhen Liu 1 collaboration

Adrian Roitberg 1 collaboration