This data contains classical MD trajectories and QM/MM reaction path geometries.

- EPSRC funded project to investigate machine learning based methods to use MR data for motion correction of PET data- Data acquired from healthy volunteer with ethics and consent- Code does not have warranty and for research purpose only- Code is written in Matlab- Associated publication:X. Chen et al., 'High-Resolution Self-Gated Dynamic Abdominal MRI Using Manifold Alignment', IEEE Transactions on Medical Imaging, 2017.- Approx 300 MB in total- File formats: - .m : Matlab source...

The files consist of picoseconds-long canonical (and thermalised) trajectories of 4 metallic crystalline systems. Within each file, positions and forces of all the atom are saved.The time-step was chosen to be 2 fs.The temperature was controlled by a loosely coupled Langevin thermostat.The periodic cell was taken of dimension 4x4x4.Details of each file:Ni_500K.xyz: Nickel, 500K.Ni_1700K.xyz: Nickel, 1700K.Fe_500K.xyz: Iron, 500K.Fe_500K_vac.xyz: Iron, 500K, with a single vacancy.Utility:The data can be used to reproduce the results of the associated...

This dataset is a collection of simulated electrocardiogram (ECG) and pulse oximetry (photoplethysmogram, PPG) signals modulated by respiration.It was designed for assessment of algorithms for estimation of respiratory rate (RR) from the ECG and PPG. It serves two purposes. Firstly, it allows one to determine whether an RR algorithm has been implemented reasonably (i.e. whether it estimates RR accurately in ideal conditions). Secondly, it allows one to assess the limitations of RR algorithms, such as...

This dataset contains the results of experimental runs of the MDEOptimiser tool as described in the corresponding paper submitted to TTC 2016 (the Transformation Tool Contest associated to the STAF conference in Vienna). The tool uses evolutionary optimisation algorithms directly on software models (expressed using the MDE approach to software modelling) to solve multi-objective optimisation problems. In this case, the problem was the class—feature allocation problem and the solutions presented are for five specific instances...

This data contains the geometries, energies, frequency, solvent, and PES scan calculations.

Data deposited here has a mixed format and includes images, software and data files listing protein positions. This data was collected using the Nikon N-STORM imaging system, analysed using QuickPALM, 3B and developed software. The formats of data deposited: '.tif' for images, '.txt' for data files (with protein positions) and '.cpp' for software (written in C++).

This report and dataset analyses the research outputs, and monographs in particular, from the Research Excellence Framework 2014 (REF2014) as part of the AHRC-funded research project titled: The Academic Book of the Future (https://academicbookfuture.org/). The REF2014 submission information delivered to HEFCE provides a rich data set that can provide a means of finding out more about the academic books submitted in the last REF cycle (2008-2013). The analysis of the data provides useful indicator data...

This dataset contains the results of experimental runs of the MDEOptimiser tool as described in the corresponding paper submitted to TTC 2016 (the Transformation Tool Contest associated to the STAF conference in Vienna). The tool uses evolutionary optimisation algorithms directly on software models (expressed using the MDE approach to software modelling) to solve multi-objective optimisation problems. In this case, the problem was the class—feature allocation problem and the solutions presented are for five specific instances...

The data collected here are related to the optoelectronic properties of 3 semiconductors. The data was obtained through computational methods as part of a project to characterise solar cell materials. The data provided are the information needed to reduplicate data published as part of this project.