titus.phy.qub.ac.uk

Atomistic Simulation Centre (QUB)

Welcome to the Atomistic Simulation Centre at Queens University Belfast. Dr Guerda Massillon-JL, Assistant Professor at Physics Institute, UNAM, México joins the ASC for a year. We all welcome her warmly and hope she enjoys her time here. Has published her first scientific paper: Understanding the Interaction between Low-Energy Electrons and DNA Nucleotides in Aqueous Solution. J Phys. Chem. Lett. 6, 3091 3097 (2015). Congratulations, Maeve! No Seminars in the next week! Atomistic simulation is the theor...

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Atomistic Simulation Centre (QUB) | titus.phy.qub.ac.uk Reviews

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Welcome to the Atomistic Simulation Centre at Queens University Belfast. Dr Guerda Massillon-JL, Assistant Professor at Physics Institute, UNAM, México joins the ASC for a year. We all welcome her warmly and hope she enjoys her time here. Has published her first scientific paper: Understanding the Interaction between Low-Energy Electrons and DNA Nucleotides in Aqueous Solution. J Phys. Chem. Lett. 6, 3091 3097 (2015). Congratulations, Maeve! No Seminars in the next week! Atomistic simulation is the theor...

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Atomistic Simulation Centre (QUB) | titus.phy.qub.ac.uk Reviews

https://titus.phy.qub.ac.uk

Welcome to the Atomistic Simulation Centre at Queens University Belfast. Dr Guerda Massillon-JL, Assistant Professor at Physics Institute, UNAM, México joins the ASC for a year. We all welcome her warmly and hope she enjoys her time here. Has published her first scientific paper: Understanding the Interaction between Low-Energy Electrons and DNA Nucleotides in Aqueous Solution. J Phys. Chem. Lett. 6, 3091 3097 (2015). Congratulations, Maeve! No Seminars in the next week! Atomistic simulation is the theor...

INTERNAL PAGES

titus.phy.qub.ac.uk

1

ASC: Contact

http://titus.phy.qub.ac.uk/index2/sitemap.php

School of Maths and Physics. ENACT, Horizon 2020 (European Comission). Atomistic Simulation Centre, School of Mathematics and Physics, Queen's University Belfast, Belfast BT7 1NN, Northern Ireland, United Kingdom.

2

ASC: Publications

http://titus.phy.qub.ac.uk/publications.php

Alejandro de la Calle. McBride K., Cook J., Gray S., Felton S., Stella L., Poulidi D. No 3, pp. 407-416 (21 January 2016). A range of lanthanum strontium manganates (La. LSMO) where 0 x. With crystallite diameter of 82.4 nm, (agglomerate size of 10 μm), Tc of 89 C and SAR of 56 W gMn. At a concentration 10 mg mL. Gave the optimal induction heating results (Tmax of 46.7 C) and was therefore deemed as most suitable for the purposes of mild hyperthermia, vide infra. No 2 (27 January 2016). Real-space grids ...

3

ASC: Members

http://titus.phy.qub.ac.uk/members.php

Member based in School of Chemistry and Chemical Engineering, QUB. 9768; Member currently on secondment to UNCuyo, Mendoza, Argentina as part of ENACT Project. UNCuyo, Mendoza, Argentina. ISIS, STFC, United Kingdom. Carles Triguero de Prades. Alejandro de la Calle. Physics Institute, UNAM, México). School of Maths and Physics. ENACT, Horizon 2020 (European Comission).

4

ASC: News Archive

http://titus.phy.qub.ac.uk/news/news_archive.php

Tyndall National Institute ( Stephen Fahy and Ivana Savic. And ASC are starting a collaboration on the simulation of thermoelectric materials, funded by Science Foundation Ireland (RoI) and Department of Education and Learning (NI). The team will include 2 postdoctoral researchers 2 PhD students at Tyndall, and 2 postdocs 1 PhD student at Queen's. See Opportunities. For the ASC positions. 7 April, 2016. 26 February, 2016. Congratulations to Abigail Wardlow. Phys Rev. A 93, 023428 (2016). 28 January, 2016.

5

ASC: Inhouse Packages

http://titus.phy.qub.ac.uk/packages.php

On this page are presented computer codes that are fully or partly developed by ASC members. Here we provide only links to the documentation. Having read this, if you think any of these codes may be useful to you then in the first instance contact the webmaster (webmaster@titus.phy.ac.uk) for details on how to obtain the source. Aten - An editor for atomic coordinates. Ehrenfest DynAMics on Adaptive MEshes. Correlated electron-ion dynamics (CEID). Open source library for free energy calculations.

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University department list | Queen's University Belfast

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University department list | Queen's University Belfast

http://qub.co.uk/home/SchoolsDepartments

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University department list | Queen's University Belfast

http://wwwparent.qub.ac.uk/home/SchoolsDepartments

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International Research Centre in Experimental Physics

http://www.ircep.qub.ac.uk/interface.html

International Research Centre for Experimental Physics. Queen's University of Belfast. School of Maths and Physics. Centre for Nanostructured Media. Centre for Plasma Physics. Official Opening in June 2005. Physics at the Interface in June 2005. Article on IRCEP Architecture. Centre for Theoretical Atomic, Molecular and Optical Physics. A series of lectures, given by IRCEP Visiting Fellows, to mark to opening of IRCEP was held on 22-24th June 2005. Physics at the Interface. Session A 2-5 pm Wed 22/June.

ircep.qub.ac.uk

International Research Centre in Experimental Physics

http://www.ircep.qub.ac.uk//images.html

International Research Centre for Experimental Physics. Queen's University of Belfast. School of Maths and Physics. Centre for Nanostructured Media. Centre for Plasma Physics. Official Opening in June 2005. Physics at the Interface in June 2005. Article on IRCEP Architecture. Centre for Theoretical Atomic, Molecular and Optical Physics. 1st Floor ion hall. Atrium from 2nd floor. 2nd Floor Interaction area. View from Botanic Gardens. Caution 80MB .mov file but well worth it!

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University department list | Queen's University Belfast

http://www.queens-belfast.com/home/SchoolsDepartments

Living in Northern Ireland. Click to view links. Click to view links. Your country has been set to: United States of America. If you would like to change this, please choose your country from here. Arts, Humanities and Social Sciences. Schools, centres and institutes within the Faculty of Arts, Humanities and Social Sciences. School of Arts, English and Languages. Seamus Heaney Centre for Poetry. School of History and Anthropology, Philosophy and Politics. Institute of Professional Legal Studies. Schools...

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University department list | Queen's University Belfast

http://www.queensbelfast.com/home/SchoolsDepartments

Living in Northern Ireland. Click to view links. Click to view links. Your country has been set to: United States of America. If you would like to change this, please choose your country from here. Arts, Humanities and Social Sciences. Schools, centres and institutes within the Faculty of Arts, Humanities and Social Sciences. School of Arts, English and Languages. Seamus Heaney Centre for Poetry. School of History and Anthropology, Philosophy and Politics. Institute of Professional Legal Studies. Schools...

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University department list | Queen's University Belfast

http://www.queens.ie/home/SchoolsDepartments

Living in Northern Ireland. Click to view links. Click to view links. Your country has been set to: United States of America. If you would like to change this, please choose your country from here. Arts, Humanities and Social Sciences. Schools, centres and institutes within the Faculty of Arts, Humanities and Social Sciences. School of Arts, English and Languages. Seamus Heaney Centre for Poetry. School of History and Anthropology, Philosophy and Politics. Institute of Professional Legal Studies. Schools...

ircep.qub.ac.uk

International Research Centre in Experimental Physics

http://www.ircep.qub.ac.uk/opening.html

International Research Centre for Experimental Physics. Queen's University of Belfast. School of Maths and Physics. Centre for Nanostructured Media. Centre for Plasma Physics. Official Opening in June 2005. Physics at the Interface in June 2005. Article on IRCEP Architecture. Centre for Theoretical Atomic, Molecular and Optical Physics. The future of physics at Queen's. The Official Opening of IRCEP took place on Wednesday 22nd June 2005. 14:00 Physics at the Interface. 19:00 Banquet (by invitation).

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Myrta's weblog » Profile

http://www.myrta.eu/profile

This web site contains mainly information about my research experience, interests, and publications. Besides you can find something about real life. I am a researcher in theoretical condensed matter physics. My primary research interest is the development and improvement of electronic structure methods. Lecturer in Applied Mathematics and Theoretical Physics at the Queen’s University Belfast-Northern Ireland (UK). Postdoctoral Position at the Université catholique de Louvain, Louvain la Neuve-Belgium.

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Atomistic Simulation Centre (QUB)

Welcome to the Atomistic Simulation Centre at Queens University Belfast. Dr Guerda Massillon-JL, Assistant Professor at Physics Institute, UNAM, México joins the ASC for a year. We all welcome her warmly and hope she enjoys her time here. Has published her first scientific paper: Understanding the Interaction between Low-Energy Electrons and DNA Nucleotides in Aqueous Solution. J Phys. Chem. Lett. 6, 3091 3097 (2015). Congratulations, Maeve! No Seminars in the next week! Atomistic simulation is the theor...

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September 10, 2007. A Folksonomy for Product Design. My paper on the applicability of folksonomy in a product design scenario is available here: F. Olksonomy and Designing: An Exploration. In it, I discuss how product design is a social process involving negotiation and reconciliation of conflicting design objectives and why folksonomy is an effective design representation and retrieval tool that evolves with the design as it emerges through the negotiations and discussions of the design team. A toroid s...

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