Now showing items 1-12 of 12
g-BAOAB source files
The files included here are the code files needed to implement the geodesic integration schemes relevant to the manuscript: "Efficient molecular dynamics using geodesic integration and solvent-solute splitting" (Proceedings ...
Wave packet dynamics in the optimal superadiabatic approximation - Data
Data and figure files for the paper Wave packet dynamics in the optimal superadiabatic approximation V. Betz, B. D. Goddard, and U. Manthe The Journal of Chemical Physics 144, 224109 (2016) doi: 10.1063/1.4953577 Open ...
Wave packet dynamics in the optimal superadiabatic approximation - Matlab code
Matlab code for computation of transitions through avoided crossings using superadiabatic representations. See e.g. Wave packet dynamics in the optimal superadiabatic approximation V. Betz, B. D. Goddard, and U. ...
We present a Matlab implementation of a novel, efficient pseudo-spectral collocation scheme for the solution of stiff, non-local, non-linear PDEs in one and two spatial dimensions. In particular, we compute the non-local ...
Dispersion in networks
Ensemble of Matlab routines to calculate the time evolution of a scalar in a network following the advection-diffusion equation. The particular case of dispersion in the Manhattan road grid is included. Please refer to ...
(University of Edinburgh. School of Mathematics, 2014-07-29)
MATLAB code for computing the confluent and Gauss hypergeometric functions using a range of numerical methods.
Symmetry operators Mathematica notebook
This is a collection of files intended for verification of the results in the paper Andersson, L, Bäckdahl, T, Blue, P, "Second order symmetry operators", (2014) arXiv:1402.6252 [gr-qc] to appear in Class. Quantum Grav.
Constrained interpolation data (superseded)
# This data item has been replaced by the one which can be found at https://doi.org/10.7488/ds/1362. #
Snapshots of an N-body model of M4
(University of Edinburgh. School of Mathematics, 2014-09-04)
326 snapshots of an N-body model of the Galactic globular cluster M4. Each snapshot consists of a list of all the particles in the simulation at one time.
This dataset contains a deca-alanine trajectory analysed in paper "Local and Global Perspectives on Diffusion Maps in the Analysis of Molecular Systems" by Trstanova et.al. 2019. The trajectory was obtained using an ...