Concepedia

POLYANA—A tool for the calculation of molecular radial distribution functions based on Molecular Dynamics trajectories

Christos Dimitroulis, T. E. Raptis, Vasilios Raptis

Computer Physics Communications · 2015 · 17 citations · 22 references

DOIFull text

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Concepts

References

22

Computer Simulation of Liquids

S. P, K. J · Journal of Molecular Liquids · 1988 · 15.9K citations

, , +12

The missing term in effective pair potentials

Herman J. C. Berendsen, J. Raúl Grigera, Tjerk P. Straatsma · The Journal of Physical Chemistry · 1987 · 13.4K citations

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DL_POLY_2.0: A general-purpose parallel molecular dynamics simulation package

William R. Smith, Timothy R. Forester · Journal of Molecular Graphics · 1996 · 2.2K citations

, , +6

Reverse Monte Carlo Simulation: A New Technique for the Determination of Disordered Structures

R L McGreevy, László Pusztai · Molecular Simulation · 1988 · 1.7K citations

, , +14

Deriving effective mesoscale potentials from atomistic simulations

Dirk Reith, Mathias Pütz, Florian Müller‐Plathe · Journal of Computational Chemistry · 2003 · 1.3K citations · Full text

, , +16