Abstract: A method for operating a motor vehicle having a seat arranged in an interior of the motor vehicle for a passenger, into which seat at least one oscillator for transmitting oscillations to the passenger's body is integrated, and having a sound system for acoustic sound reproduction in the interior, includes determining the passenger's passenger state and selecting and reproducing a type of a sound sequence that is associated with the passenger's state via the sound system. The at least one such oscillator is activated on the basis of the selected type of sound sequence. In this way, convenience functions and/or assistance systems of the motor vehicle can be improved.

Abstract: A method for operating a motor vehicle having a seat arranged in an interior of the motor vehicle for a passenger, into which seat at least one oscillator for transmitting oscillations to the passenger's body is integrated, and having a sound system for acoustic sound reproduction in the interior, includes determining the passenger's passenger state and selecting and reproducing a type of a sound sequence that is associated with the passenger's state via the sound system. The at least one such oscillator is activated on the basis of the selected type of sound sequence. In this way, convenience functions and/or assistance systems of the motor vehicle can be improved.

Abstract: A general procedure is presented to derive force field parameters for molecules in the crystalline state on a case by case basis. The force filed parameters are fitted to accurate energies and forces generated by means of a hybrid method that combines DFT calculations with an empirical van der Waals correction. The mathematical structure of the force field, the generation of reference data, the choice of the figure of merit, the optimization algorithm and the parameter refinement strategy are discussed in detail.

Abstract: The invention refers to a method for the accurate determination of van der Waals parameters for high-precision determination of crystal structures and/or energies, comprising the steps of: numerically simulating at least one crystal structure based on density functional theory (DFT) calculations combined with a potential energy term representing van der Waals interactions; providing reference data containing accurate information about said at least one crystal structure; defining a deviation function (F) quantifying a deviation between said reference data and said at least one simulated crystal structure; fitting at least one parameter of said van der Waals potential term in such a way as to minimize said deviation function (F); and obtaining the accurate van der Waals parameters from the best fit. The invention furthermore deals with a hybrid method for the accurate van der Waals parameters from the best fit.

Abstract: A method and system for indexing powder diffraction data are disclosed comprising choosing a maximum impurity peak tolerance level for a crystallography data search, choosing a range of number of calculated peaks for possible indexing solutions having a minimum number of peaks and a maximum number of peaks, selecting a crystal system to search, selecting powder extinction classes to search for indexing solutions, performing an exhaustive unit cell search of each of the selected powder extinction classes using a successive dichotomy approach to determine a set of indexing results, and ranking the obtained solutions according to likelihood.

Abstract: A method and system for indexing powder diffraction data are disclosed comprising choosing a maximum impurity peak tolerance level for a crystallography data search, choosing a range of number of calculated peaks for possible indexing solutions having a minimum number of peaks and a maximum number of peaks, selecting a crystal system to search, selecting powder extinction classes to search for indexing solutions, performing an exhaustive unit cell search of each of the selected powder extinction classes using a successive dichotomy approach to determine a set of indexing results, and ranking the obtained solutions according to likelihood.