Protein Structure Determination Using Chemical Shifts

In this PhD thesis, a novel method to determine protein structures using chemical shifts is presented.Comment: Univ Copenhagen PhD thesis (2014) in Biochemistr

HepSim: a repository with predictions for high-energy physics experiments

A file repository for calculations of cross sections and kinematic distributions using Monte Carlo generators for high-energy collisions is discussed. The repository is used to facilitate effective preservation and archiving of data from theoretical calculations, as well as for comparisons with experimental data. The HepSim data library is publicly accessible and includes a number of Monte Carlo event samples with Standard Model predictions for current and future experiments. The HepSim project includes a software package to automate the process of downloading and viewing online Monte Carlo event samples. A data streaming over a network for end-user analysis is discussed.Comment: 12 pages, 2 figure

QuTiP: An open-source Python framework for the dynamics of open quantum systems

We present an object-oriented open-source framework for solving the dynamics of open quantum systems written in Python. Arbitrary Hamiltonians, including time-dependent systems, may be built up from operators and states defined by a quantum object class, and then passed on to a choice of master equation or Monte-Carlo solvers. We give an overview of the basic structure for the framework before detailing the numerical simulation of open system dynamics. Several examples are given to illustrate the build up to a complete calculation. Finally, we measure the performance of our library against that of current implementations. The framework described here is particularly well-suited to the fields of quantum optics, superconducting circuit devices, nanomechanics, and trapped ions, while also being ideal for use in classroom instruction.Comment: 16 pages, 12 figure