## Neutrons and Numerical Methods - N2M: Grenoble, France 9-12 December 1998M.R. Johnson, G.J. Kearly, H.G. Büttner The proceedings of the Workshop on Neutrons and Numerical Methods brings together recent research which combines neutron scattering experiments and numerical modeling of interatomic forces. Since the neutron probes directly the neutron motion, a quantitative comparison of the experimental and numerical results is made. These numerical simulations give a much deeper insight into the structure and dynamics being studied. Furthermore, neutron data constitute a rigorous test of the ever-increasing number of numerical methods available, many of which are presented here. The data enable the simulation method best suited to the system under study to be selected. |

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### Contents

The Development of RMC Methods for Modelling Structural Disorder | 19 |

Modelling the Thermal Expansion of Zeolites | 28 |

Multiple Scattering Effects in Deep Inelastic Neutron Scattering | 37 |

Copyright | |

21 other sections not shown

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1999 The American Address American Institute amorphous approximation atoms bond length boson peak cage Chem Chemistry clathrate clathrate hydrates configurations coordinates correction function correlation corresponding CP479 Neutrons density functional theory DFT calculations dynamical structure factor E-Mail edited by M. R. electron emodin EXAFS experimental data faujasite FIGURE force constants force field frequency G. J. Kearley glasses GRENOBLE CEDEX H. G. Büttner hydrogen bonds inelastic neutron scattering initio Institute of Physics interactions interlayer lattice Lett M. R. Johnson magnetic matrix McGreevy MD simulations methyl group molecular dynamics Monte Carlo motion multiple scattering N.M edited negative thermal expansion neutron diffraction Neutrons and Numerical norbornane Numerical Methods obtained parameters partial phonon Phys potential protein proton quantum range rotational sample specific heat spectra spectrum spin supercell Surname symmetry techniques temperature thermal expansion unit cell vibrational density water molecules wavelength wavenumber