Gerald R. Kneller

According to our database, Gerald R. Kneller authored at least 6 papers between 1988 and 2012.

Collaborative distances:

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

2012

<i>n</i>Moldyn 3: Using task farming for a parallel spectroscopy-oriented analysis of molecular dynamics simulations.

Konrad Hinsen, Eric Pellegrini, Slawomir Stachura, Gerald R. Kneller

J. Comput. Chem., 2012

2011

Comment on "Fast determination of the optimal rotational matrix for macromolecular superpositions" [J. Comp. Chem. 31 1561 (2010)].

Gerald R. Kneller

J. Comput. Chem., 2011

2005

Comment on Using quaternions to calculate RMSD [J. Comp. Chem. 25, 1849 (2004)].

Gerald R. Kneller

J. Comput. Chem., 2005

Linear prediction of force time series to accelerate molecular dynamics simulations.

Branislav Brutovsky, Gerald R. Kneller

Comput. Phys. Commun., 2005

2003

nMoldyn: A program package for a neutron scattering oriented analysis of molecular dynamics simulations.

Tomasz Róg, Krzysztof Murzyn, Konrad Hinsen, Gerald R. Kneller

J. Comput. Chem., 2003

1988

Computersimulation von Neutronenstreuexperimenten an molekularen Flüssigkeiten am Beispiel von Dichlormethan.

Gerald R. Kneller

PhD thesis, 1988