Contact
Getting help
If you experience problems running NX and neither the Tutorial nor the Documentation seems to help, you can check the NX discussion forum.
Bug report
If you experience problems likely caused by a program bug, please tell the developers (mario.barbatti@univ.amu.fr) supplying the version-number, input and log files. They are always grateful for any hint.
Developers and Contributors
NX development started by Marion Barbatti in Hans Lishcka’s group in Vienna, in 2005. This initial work was done in collaboration with Giovanni Granucci, Maurizio Persico, and Jiri Pittner. Over the years, many people have contributed to the development of Newton-X.
We are proud of offering an open platform for the development of new methods and software.
Core developers
| Barbatti, Mario | Aix Marseille University | France |
| Ruckenbauer, Matthias | University of Vienna | Austria |
| Plasser, Felix | Loughborough University | UK |
| Crespo-Otero, Rachel | Queen Mary University | UK |
| Granucci, Giovanni | University of Pisa | Italy |
| Persico, Maurizio | University of Pisa | Italy |
| Pittner, Jiri | J. Heyrovský Institute | Czech Republic |
| Lischka, Hans | Texas Tech | USA |
Development team in Marseille
| Goel, Prateek | Machine learning and analytical modeling |
| Kossoski, Fabris | Transient anions and importance sampling |
| Mukherjee, Saikat | Vibronic effects end zero point corrections |
| Pinheiro Jr, Max | Hessian and adaptive steps |
| Demoulin, Baptiste | Software optimization and data management |
Contributors
| Bhati, Mansi | Indian Institute of Science Education and Research | India | PySOC interface |
| Sellner, Bernhard | University of Vienna | Austria | Random initial conditions |
| Zechmann, Gunther | University of Vienna | Austria | Plot routines |
| West, Aron | Iowa State University | USA | Gamess interface |
| Windus, Theresa | Iowa State University | USA | Gamess interface |
| Toru Shiozaki | Northwestern University | USA | Bagel interface |
| Park, Jae Woo | Northwestern University | USA | Bagel interface |
| Izmaylov, Artur F. | University of Toronto | Canada | OD couplings |
| Nagesh, Jayashree | University of Toronto | Canada | OD couplings |
| Niehaus, Thomas | University of Lyon | France | DFTB+ interface |
| Dral, Pavlo | Xiamen University | China | ML Atom interface |
| Stojanović, Ljiljana | Quenn Mary University London | UK | TD-DFTB dynamics |
| Pederzoli, Marek | J. Heyrovský Institute | Czech Republic | ISC dynamics |
| Arbelo-González, Wilmer | Miami Dade Colege | USA | Photoelectron spectrum |
| de Moura, Carlos E. | Aix Marseille University | France | Tunneling effects |