title: FDES, a GPU-based multislice algorithm with increased efficiency of the computation of the projected potential.
abstract: While the computational complexity of calculation of the projected potential in the multislice algorithm through reciprocal space scales quadratically with the number of atoms A per slice, a pure real-space calculation scales linearly with A. A hybrid strategy is introduced that has a theoretical complexity of O(AlogA), but that, when measured, outperforms both the reciprocal-space and the real-space approach by approximately an order in A and a large factor, respectively. This strategy is implemented in a new program, dubbed forward dynamical electron scattering (FDES), which simulates high resolution transmission electron microscopy images, diffraction patterns and convergent beam electron diffraction patterns. FDES attains a further increase in speed by running on a graphics processing unit and is made available to the community as open software.
authors.affiliation: Institute for Experimental Physics, Ulm University, Albert-Einstein-Allee 11, 89081 Ulm, Germany. Electronic address: wouter.vandenbroek@uni-ulm.de.
authors.forename: W
authors.initials: W
authors.lastname: Van den Broek
authors.affiliation: Institute for Experimental Physics, Ulm University, Albert-Einstein-Allee 11, 89081 Ulm, Germany.
authors.forename: X
authors.initials: X
authors.lastname: Jiang
authors.affiliation: Institute for Experimental Physics, Ulm University, Albert-Einstein-Allee 11, 89081 Ulm, Germany.
authors.forename: C T
authors.initials: CT
authors.lastname: Koch
keywords: CBED; Diffraction; Forward dynamical electron scattering (FDES); HRTEM; Multislice simulation