Mario Barbatti

According to our database, Mario Barbatti authored at least 4 papers between 2005 and 2023.

Collaborative distances:

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

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