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<p class="MsoNormal">Dear Quantum Espresso developers,<o:p></o:p></p>
<p class="MsoNormal"><o:p></o:p></p>
<p class="MsoNormal">I am contacting you to invite two Quantum Espresso experts to tutor at the
<b>joint MCC-UKCP-EPCC workshop on ab initio periodic codes on HPC</b>, which will take place 19<sup>th</sup>-22<sup>nd</sup> January 2016 at the Daresbury Laboratory, England.
<o:p></o:p></p>
<p class="MsoNormal"><o:p> </o:p></p>
<p class="MsoNormal">At this advanced workshop, participants will perform calculations with up to five or six different ab initio periodic codes on ARCHER, the latest UK National Supercomputing Service. Your role will be to offer guidance to expert users of
DFT periodic codes who want to begin to use, or improve their knowledge of, Quantum Espresso.
<o:p></o:p></p>
<p class="MsoNormal"><o:p> </o:p></p>
<p class="MsoNormal">The workshop is organised jointly by the Edinburgh Parallel Computing Centre (EPCC), home of ARCHER, and two UK High End Computing Consortia that provide ARCHER computing resources to their members: the Materials Chemistry Consortium (MCC),
and the United Kingdom Car Parrinello (UKCP) Consortium. The memberships of these two consortia accounts for a large proportion of UK-based Academic users of ab initio periodic codes.
<o:p></o:p></p>
<p class="MsoNormal"><o:p> </o:p></p>
<p class="MsoNormal">The objectives of the workshop are: <o:p></o:p></p>
<p class="MsoListParagraphCxSpFirst" style="text-indent:-18.0pt;mso-list:l0 level1 lfo1">
<![if !supportLists]><span style="mso-list:Ignore">1.<span style="font:7.0pt "Times New Roman"">
</span></span><![endif]>Offer guidance on efficient deployment of codes on ARCHER according to the requirements of the different applications<o:p></o:p></p>
<p class="MsoListParagraphCxSpMiddle" style="text-indent:-18.0pt;mso-list:l0 level1 lfo1">
<![if !supportLists]><span style="mso-list:Ignore">2.<span style="font:7.0pt "Times New Roman"">
</span></span><![endif]>Explore capabilities of codes other than the ones individual participants use routinely<o:p></o:p></p>
<p class="MsoListParagraphCxSpLast" style="text-indent:-18.0pt;mso-list:l0 level1 lfo1">
<![if !supportLists]><span style="mso-list:Ignore">3.<span style="font:7.0pt "Times New Roman"">
</span></span><![endif]>Help establish links among MCC and UKCP members, code experts and EPCC staff<o:p></o:p></p>
<p class="MsoNormal">Thanks to the hands-on focus of the workshop, participants will be able to familiarise themselves with codes by using existing code-specific tutorials, and begin to apply codes they are not familiar with to systems of their interest. Tutors
will give general presentations on the codes, and offer guidance in the hands-on sessions and one-to-one discussions.
<o:p></o:p></p>
<p class="MsoNormal"><o:p> </o:p></p>
<p class="MsoNormal">All travel, accommodation and subsistence expenses of all tutors will be reimbursed by the organising bodies.<o:p></o:p></p>
<p class="MsoNormal"><o:p> </o:p></p>
<p class="MsoNormal">I hope that you will be able to represent Quantum Espresso at this workshop, and I would appreciate an answer
<b>by the end of this week (ie Friday 6<sup>th</sup> November)</b>. I look forward to hearing from you and please don’t hesitate to contact me, should you need more details.
<o:p></o:p></p>
<p class="MsoNormal"><o:p> </o:p></p>
<p class="MsoNormal">Kind Regards, <o:p></o:p></p>
<p class="MsoNormal"><o:p> </o:p></p>
<p class="MsoNormal">Barbara Montanari<span style="color:#0070C0"><o:p></o:p></span></p>
<p class="MsoNormal">---<o:p></o:p></p>
<p class="MsoNormal"><span style="mso-fareast-language:EN-GB">Dr Barbara Montanari MInstP<o:p></o:p></span></p>
<p class="MsoNormal"><span style="mso-fareast-language:EN-GB">Leader: Theoretical and Computational Physics Group<o:p></o:p></span></p>
<p class="MsoNormal"><span style="mso-fareast-language:EN-GB">Deputy Head: Applications Division<o:p></o:p></span></p>
<p class="MsoNormal"><span style="mso-fareast-language:EN-GB">STFC Scientific Computing Department, Rutherford Appleton Laboratory<o:p></o:p></span></p>
<p class="MsoNormal">T: +44 (0)1235 77 8134<o:p></o:p></p>
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