All of the data from the paper, as well as an easy python module or creating domain wall encodings. Marked as software, even though it also does contain the datasets.
An alternative to the GitHub repositories for the ElecSus codes and test data, also available at https://github.com/jameskeaveney/ElecSus and https://github.com/jameskeaveney/ElecSusTestData
We report observations of the formation and subsequent decay of a vortex lattice in a Bose-Einstein condensate confined in a hybrid optical-magnetic trap. Vortices are induced by rotating the anharmonic magnetic potential that provides confinement in the horizontal plane. We present simple numerical techniques based on image analysis to detect vortices and analyse their distributions. We use these methods to quantify the amount of order present in the vortex distribution as it transitions from a...
A combination of solid-state NMR techniques, including 13C/1H correlation, 2H magic-angle spinning NMR and first principles calculation are employed to characterise the role of water in different hydration states of sildenafil citrate. The 13C spectrum is fully assigned for the first time and direct correlations made with respect to the crystal structure. 2H magic-angle spinning NMR is demonstrated to be a powerful tool for the study of dynamic and exchange processes in complex hydrate systems,...
In this paper, we use a finite difference time domain solver to simulate the near field optical properties of self-assembled microsphere arrays when exposed to an incoherent light source. Such arrays are typically used for microsphere lithography where each sphere acts as a ball lens, focusing ultraviolet light into an underlying photoresist layer. It is well known that arrays of circular features can be patterned using this technique. However, here, our simulations show that additional...
Data and Software supporting Degiacomi et al study about a new method and associated software, DynamXL, that accommodates intrinsic protein dynamics in the modelling of cross-linking data. This approach substantially reduces error rates, leading to higher confidence in structure assessment and improved protein-protein docking.
Slides available on Prezi.com: https://prezi.com/p/x5sovu3qh1ud/
Data files can be opened in Matlab. The authors used Matlab R2015a. If you do not have access to Matlab, Mathematica, Scilab (freeware) or similar applications should be able to open the files.
Research data for "Structure and Physicochemical Characterisation of a Naproxen-Picolinamide Cocrystal"Hannah E. Kerr
Naproxen (NPX) is a nonsteroidal anti-inflammatory drug with pain- and fever- relieving properties, currently marketed in the sodium salt form to overcome solubility problems; however, alternative solutions for improving its solubility across all pH values are desirable. NPX is suitable for cocrystal formation, with hydrogen-bonding possibilities via the COOH group. The crystal structure is presented of a 1:1 cocrystal of NPX with picolinamide as a coformer. The pharmaceutically relevant physical properties were investigated and the...
A high repetition rate experimental setup for quantum non-linear optics with cold Rydberg atoms: Supporting dataHannes Busche, Simon W Ball & Paul Huillery
Supporting Data EPSJ
A file index info.txt is present in the zip archive
Supporting data for the publication: http://arxiv.org/abs/1510.07845 "Center-of-mass motion as a sensitive convergence test for variational multi-mode quantum dynamics", authors: Jayson G. Cosme, Christoph Weiss and Joachim Brand.
Abstract from article: We investigate, theoretically and experimentally, the transmission of light through a thermal vapour of three-level ladder-type atoms, in the presence of 2 counter-propagating control fields. A simple theoretical model predicts the presence of electromagnetically induced absorption (EIA) in this pure three-level system when the control field is resonant. Experimentally, we use Rb-87 in a large magnetic field of 0.62 T to reach the hyperfine Paschen-Back regime and realise a non-degenerate three-level system....
Comparison of Jc in GdBCO tape using Dc magnetisation and harmonic Ac susceptibility measurements [dataset]Elizabeth Surrey, Seung Hyun Moon & Damian Hampshire
We have measured the critical current density (Jc) of a sample of SuNAM HTS tape using Ac Susceptibility (ACS) and Dc Magnetisation (DCM) techniques. In DCM measurements, inhomogeneity in the applied Dc field causes a systematic underestimate of Jc. The error in DCM measurements is characterized by the penetration parameter, gamma, and grows as Jc decreases. Using a harmonic ACS analysis, we have obtained more accurate measurements of Jc as a function of applied Dc...
There are few demonstrated examples of phase transitions that may be driven directly by terahertz-frequency electric fields, and those that are known require field strengths exceeding 1MVcm−1. Here we report a non-equilibrium phase transition driven by a weak (≪ 1Vcm−1), continuous-wave terahertz electric field. The system consists of room-temperature caesium vapour under continuous optical excitation to a high-lying Rydberg state, which is resonantly coupled to a nearby level by the terahertz electric field. We use...
This thesis presents the development of an experimental apparatus designed to investigate the ultracold collisional properties for mixtures of Cs and Yb, with a long-term view to the creation of ultracold CsYb molecules via indirect cooling methods. The unpaired electron spin that is inherent to molecules of this form gives rise to a magnetic dipole moment in addition to a ground state electric dipole moment. This enables extra control over molecular interactions and should enable...
Characterisation of phosphorylated nucleotides by collisional and electron-based tandem mass spectrometry by FTICR MSJackie Mosely
FT ICR mass spectrometry: collision induced dissociation and electron-based dissociation of phosphorylated nucleotides
Data archive for Chem Comm paper | Furosemide's one little hydrogen atom: NMR crystallography structure verification of powdered molecular organicsCory Widdifield
The potential of NMR crystallography to verify molecular crystal structures deposited in structural databases is evaluated, with two structures of the pharmaceutical furosemide serving as examples. While the structures differ in the placement of one H atom, using this approach, we verify one of the structures in the Cambridge Structural Database using quantitative tools, while establishing that the other structure does not meet the verification criteria.
Also includes a list of 45 outputs reported as non-complliant as at 31st May 2018.
Data listing all articles and conference papers published by a Durham author acknowledging RCUK funding between August 2014 and July 2015, which met the RCUK Open Access policy requirements via the Green OA route.
Muon data for "Magnetization dynamics and frustration in the multiferroic double perovskite Lu2MnCoO6"Tom Lancaster, J.S. Möller & S.J. Blundell
An archive of the muon data included in the paper.
We present an experimental study of seeded four-wave mixing (4WM) using a diamond excitation scheme (with states from the 5S1/2, 5P1/2, 5P3/2 and 5D1/2 terms) in a thermal vapour of 87Rb atoms. We investigate the 4WM spectra under the application of a strong magnetic field (0.6 T). The Zeeman interaction is strong enough to realise the hyperfine Paschen-Back regime, which has the effect of separating the optical transitions by more than the Doppler width, thereby...