Notker Rösch

According to our database, Notker Rösch authored at least 5 papers between 1993 and 2014.

Collaborative distances:

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

2014

Predicting adsorption enthalpies on silicalite and HZSM-5: A benchmark study on DFT strategies addressing dispersion interactions.

Cheng-chau Chiu, Georgi N. Vayssilov, Alexander Genest, Armando Borgna, Notker Rösch

J. Comput. Chem., 2014

2010

Scheduling Parallel Eigenvalue Computations in a Quantum Chemistry Code.

Martin Roderus, Anca Berariu, Hans-Joachim Bungartz, Sven Krüger, Alexei V. Matveev, Notker Rösch

Proceedings of the Euro-Par 2010 - Parallel Processing, 16th International Euro-Par Conference, Ischia, Italy, August 31, 2010

2004

Efficient symmetry treatment for the nonrelativistic and relativistic molecular Kohn-Sham problem. The symmetry module of the program ParaGauss.

Alexei V. Matveev, Markus Mayer, Notker Rösch

Comput. Phys. Commun., 2004

2002

Comparative study of relativistic density functional methods applied to actinide species AcO22+ and AcF6 for Ac = U, Np.

Maite García-Hernández, Christa Lauterbach, Sven Krüger, Alexei V. Matveev, Notker Rösch

J. Comput. Chem., 2002

1993

Electrostatic solvent effects on the electronic structure of ground and excited states of molecules: Applications of a cavity model based upon a finite element method.

Thomas Fox, Notker Rösch, Randy J. Zauhar

J. Comput. Chem., 1993