P2_6 The influence of agricultural emissions on global warming

Current estimates on the influence anthropogenic greenhouse gas emissions on global warming may have neglected the influence the agricultural emissions have, especially given the attempts to phase in biofuels in the transport industry. This paper investigates the effect emissions of nitrous oxide (N2O) may have by calculating its Global Warming Potential (GWP) over the next 100 years. However, due to a lack of data a final judgment on the effect growing more biofuels would have on climate change could not be mad

P2_4 Electromagnetic radiation from Mobile Phones

This paper demonstrates a method to quantify the energy absorbed by the human brain from using a mobile phone. Our results show the energy absorbed per second by a human head is PAbsorbed = 4.00 x 10-5 J.s-

P2_11 Fuselage Holes

This article looks at how long it would take the air to evacuate an aeroplane if the fuselage developed a hole, imposed under incompressible constraints. We find that the time for depressurisation, as a function of hole size, follows a linear, inverse power law. Â

P2_1 Cultural Segregation on the Sugarscape

This article investigates a cultural segregation rule in the Sugarscape environment introduced by JM Epstein and R Aktell in “Growing Artificial Societiesâ€. Methods for producing segregation, and quantitatively measuring the degree of segregation are discussed, and it is found that these simple rules are effective at producing segregation between 2 or many culture

P2_15 Quantum well widths as a function of doping

We iteratively calculate theoretical data within an infinite model, that allows you to determine the required well size given a specific doping, for a laser semiconductor emitting light between the wavelengths of 450 nm and 550 nm

P2_12 InGaN quantum-well width w.r.t λ

We derive a value d=2.49 nm (3 s.f.), the required InGaN quantum well width, to produce a ‘true’ green laser of ~530 nm, using a simple infinite well model. ‘True green’ semiconductor lasers are the next generation of lasers for use in HD disc-reading devices

Strong exciton-photon coupling with colloidal nanoplatelets in an open microcavity

Colloidal semiconductor nanoplatelets exhibit quantum size effects due to their thickness of only few monolayers, together with strong optical band-edge transitions facilitated by large lateral extensions. In this article we demonstrate room temperature strong coupling of the light and heavy hole exciton transitions of CdSe nanoplatelets with the photonic modes of an open planar microcavity. Vacuum Rabi splittings of $66 \pm 1$ meV and $58 \pm 1$ meV are observed for the heavy and light hole excitons respectively, together with a polariton-mediated hybridisation of both transitions. By measuring the concentration of platelets in the film we compute the transition dipole moment of a nanoplatelet exciton to be $\mu = (575 \pm 110)$ D. The large oscillator strength and fluorescence quantum yield of semiconductor nanoplatelets provide a perspective towards novel photonic devices, combining polaritonic and spinoptronic effects.Comment: 9 pages, 4 figure

entos: A Quantum Molecular Simulation Package

entos is designed for ab initio MD simulations of molecular and condensed-phase chemical reactions and other processes, with particular focus on mean-field and quantum embedding methods for electronic structure. The entos software package is developed in the C++14 programming language with a structure that enables flexibility (by providing a long-term sustainable platform for development of methods in this area), efficiency (via task-based multi-threaded parallelism), and rigorous software engineering standards

entos: A Quantum Molecular Simulation Package

entos is designed for ab initio MD simulations of molecular and condensed-phase chemical reactions and other processes, with particular focus on mean-field and quantum embedding methods for electronic structure. The entos software package is developed in the C++14 programming language with a structure that enables flexibility (by providing a long-term sustainable platform for development of methods in this area), efficiency (via task-based multi-threaded parallelism), and rigorous software engineering standards

Roadmap on Electronic Structure Codes in the Exascale Era

Electronic structure calculations have been instrumental in providing many important insights into a range of physical and chemical properties of various molecular and solid-state systems. Their importance to various fields, including materials science, chemical sciences, computational chemistry and device physics, is underscored by the large fraction of available public supercomputing resources devoted to these calculations. As we enter the exascale era, exciting new opportunities to increase simulation numbers, sizes, and accuracies present themselves. In order to realize these promises, the community of electronic structure software developers will however first have to tackle a number of challenges pertaining to the efficient use of new architectures that will rely heavily on massive parallelism and hardware accelerators. This roadmap provides a broad overview of the state-of-the-art in electronic structure calculations and of the various new directions being pursued by the community. It covers 14 electronic structure codes, presenting their current status, their development priorities over the next five years, and their plans towards tackling the challenges and leveraging the opportunities presented by the advent of exascale computing.Comment: Submitted as a roadmap article to Modelling and Simulation in Materials Science and Engineering; Address any correspondence to Vikram Gavini ([email protected]) and Danny Perez ([email protected]