Report on the Management and Administrative Computing Initiative - Vol II

UNIVERSITY GRANTS COMMITTEE REPORT ON THE INITIATIVE ON MANAGEMENT A~D ADMINISTRATIVE COMPUTING VOLUME II - REFERENCE MANUAL

REPORT ON THE INITIATIVE ON MANAGEMENT AND ADMINISTRATIVE COMPUTING VOLUME II

UNIVERSITY GRANTS COMMITTEE REPORT ON THE INITIATIVE ON MANAGEMENT AND ADMINISTRATIVE COMPUTING VOLUME II - REFERENCE MANUAL

Cloud computing for research - final report

Curtis+Cartwright Consulting Ltd, working with the University of Surrey and Professor Charles Oppenheim, has been commissioned by Jisc to investigate Cloud Computing for Research. This document is the final report, and is accompanied by a briefing paper which provides advice targeted at researchers.

Review of the environmental and organisational implications of cloud computing in higher and further education

The review of the environmental and organisational implications of cloud computing in higher and further education was commissioned by Jisc as part of its green ICT programme.

How can IT professionals make the step into leadership roles?

Last year, Jisc began work with EDUCAUSE - the US organisation for IT professionals in higher education - to find out the skillset of the CIO of the future. One of the findings of our project was that many aspiring technology leaders find it difficult to make the step up. Louisa Dale, director Jisc group sector intelligence, talks through the learnings and opens a call for IT professionals to get involved in the next phase of work.

Astrophysics and Distributed Research utilising Advanced Computing (DiRAC)

Supporting presentation slides to accompany the Janet network end to end performance initiative workshop

Helena de Eurípides y los roles de género

Le Rane : Collana di Studi e Testi. Studi ; 55 - El teatro clásico en el marco de la cultura griega y su pervivencia en la cultura occidental ; 13

Object oriented simulation of hybrid renewable energy systems focused on supervisor control

EFTA 2009

Hybrid Qm/Mm Simulation Of The Hydration Phenomena Of Dipalmitoylphosphatidylcholine Headgroup

The polar headgroup of dipalmitoylphosphatidylcholine (DPPC) molecule both in gas phase and aqueous Solution is investigated by the hybrid quantum mechanical/molecular mechanical (QM/MM) method, in which the polar head of DPPC molecule and the bound water molecules are treated with density functional theory (DFT), while the apolar hydrocarbon chain of DPPC molecule is treated with MM method. It is demonstrated that the hybrid QM/MM method is both accurate and efficient to describe the conformations of DPPC headgroup. Folded structures of headgroup are found in gas phase calculations. In this work, both monohydration and polyhydration phenomena are investigated. In monohydration, different water association sites are studied. Both the hydration energy and the quantum properties of DPPC and water molecules are calculated at the DFT level of theory after geometry optimization. The binding force of monohydration is estimated by using the scan method. In polyhydration, more extended conformations are found and hydration energies in different polyhydration styles are estimated. (C) 2008 Elsevier Inc. All rights reserved.

An Atomistic-Continuum Hybrid Simulation Of Fluid Flows Over Superhydrophobic Surfaces

Recent experiments have found that slip length could be as large as on the order of 1 mu m for fluid flows over superhydrophobic surfaces. Superhydrophobic surfaces can be achieved by patterning roughness on hydrophobic surfaces. In the present paper, an atomistic-continuum hybrid approach is developed to simulate the Couette flows over superhydrophobic surfaces, in which a molecular dynamics simulation is used in a small region near the superhydrophobic surface where the continuum assumption is not valid and the Navier-Stokes equations are used in a large region for bulk flows where the continuum assumption does hold. These two descriptions are coupled using the dynamic coupling model in the overlap region to ensure momentum continuity. The hybrid simulation predicts a superhydrophobic state with large slip lengths, which cannot be obtained by molecular dynamics simulation alone.