The simulated annealing approach to structure solution from powder diffraction data, as implemented in the DASH program, is easily amenable to parallelization at the individual run level. Very large scale increases in speed of execution can therefore be achieved by distributing individual DASH runs over a network of computers. The GDASH program achieves this by packaging DASH in a form that enables it to run under the Univa UD Grid MP system, which harnesses networks of existing computing resources to perform calculations
The DDSCAT software is enabled for use of MPI or OpenMP to distribute calculation of different parti...
Multi-platform software has been developed for the analysis of powder diffraction data, with particu...
The research presented in this thesis investigates parallel implementations of the Fast Sweeping Met...
The simulated annealing approach to structure solution from powder diffraction data, as implemented ...
The simulated annealing approach to crystal structure determination from powder diffraction data, as...
Significant gains in the performance of the simulated annealing algorithm in the DASH software packa...
Improvements in SDPD methodology have meant that ever more complex structures are being tackled usin...
A combined local and global optimisation approach to crystal structure determination from powder dif...
The crystal structures of 35 molecular compounds have been redetermined from laboratory monochromati...
summary:Le Bail fitting method is procedure used in the applied crystallography mainly during the cr...
The effect of introducing conformational information to the DASH implementation of crystal structure...
The direct-space methods software Powder Structure Solution Program (PSSP) [Pagola & Stephens (2010)...
This work describes the computer program PSSP (powder structure solution program) for the crystal st...
Determination of structural information from diffraction patterns of crystalline materials can ena...
Crystal structure determination from powder diffraction data (SDPD) using the DASH software package ...
The DDSCAT software is enabled for use of MPI or OpenMP to distribute calculation of different parti...
Multi-platform software has been developed for the analysis of powder diffraction data, with particu...
The research presented in this thesis investigates parallel implementations of the Fast Sweeping Met...
The simulated annealing approach to structure solution from powder diffraction data, as implemented ...
The simulated annealing approach to crystal structure determination from powder diffraction data, as...
Significant gains in the performance of the simulated annealing algorithm in the DASH software packa...
Improvements in SDPD methodology have meant that ever more complex structures are being tackled usin...
A combined local and global optimisation approach to crystal structure determination from powder dif...
The crystal structures of 35 molecular compounds have been redetermined from laboratory monochromati...
summary:Le Bail fitting method is procedure used in the applied crystallography mainly during the cr...
The effect of introducing conformational information to the DASH implementation of crystal structure...
The direct-space methods software Powder Structure Solution Program (PSSP) [Pagola & Stephens (2010)...
This work describes the computer program PSSP (powder structure solution program) for the crystal st...
Determination of structural information from diffraction patterns of crystalline materials can ena...
Crystal structure determination from powder diffraction data (SDPD) using the DASH software package ...
The DDSCAT software is enabled for use of MPI or OpenMP to distribute calculation of different parti...
Multi-platform software has been developed for the analysis of powder diffraction data, with particu...
The research presented in this thesis investigates parallel implementations of the Fast Sweeping Met...