Mario Barbatti

According to our database, Mario Barbatti authored at least 7 papers between 2005 and 2025.

Collaborative distances:

• Dijkstra number of four.
• Erdős number of four.

2025

A Descriptor Is All You Need: Accurate Machine Learning of Nonadiabatic Coupling Vectors.

Jakub Martinka, Lina Zhang, Yi-Fan Hou, Mikolaj Martyka, Jirí Pittner, Mario Barbatti, Pavlo O. Dral

CoRR, May, 2025

Foreword to the Special Issue for Hans Lischka.

Adélia J. A. Aquino, Mario Barbatti, Péter G. Szalay, Gernot Frenking

J. Comput. Chem., March, 2025

Ultrafast Dynamics of Diketopyrrolopyrrole Dimers.

Ali Al-Jaaidi, Josene M. Toldo, Mario Barbatti

J. Comput. Chem., 2025

2023

MLatom 3: Platform for machine learning-enhanced computational chemistry simulations and workflows.

Pavlo O. Dral, Fuchun Ge, Yi-Fan Hou, Peikun Zheng, Yuxinxin Chen, Mario Barbatti, Olexandr Isayev, Cheng Wang, Bao-Xin Xue, Max Pinheiro Jr, Yuming Su, Yiheng Dai, Yangtao Chen, Lina Zhang, Shuang Zhang, Arif Ullah, Quanhao Zhang, Yanchi Ou

CoRR, 2023

2016

UV-photoexcitation and ultrafast dynamics of HCFC-132b (CF₂ClCH₂Cl).

Gessenildo Pereira Rodrigues, Elizete Ventura, Silmar Andrade do Monte, Mario Barbatti

J. Comput. Chem., 2016

2007

Nonadiabatic Ab Initio Surface-Hopping Dynamics Calculation in a Grid Environment - First Experiences.

Matthias Ruckenbauer, Ivona Brandic, Siegfried Benkner, Wilfried N. Gansterer, Osvaldo Gervasi, Mario Barbatti, Hans Lischka

Proceedings of the Computational Science and Its Applications, 2007

2005

High-Level Quantum Chemical Methods for the Study of Photochemical Processes.

Hans Lischka, Adélia J. A. Aquino, Mario Barbatti, Mohammad Solimannejad

Proceedings of the Computational Science and Its Applications, 2005