Center for Molecular Modeling - Hands-on workshop density-functional theory and beyond: First-principles simulations of molecules and materials https://molmod.ugent.be/conferences/hands-workshop-density-functional-theory-and-beyond-first-principles-simulations-0 en Advanced molecular simulations to accurately characterize metal-organic frameworks https://molmod.ugent.be/c1_c3_publications/advanced-molecular-simulations-accurately-characterize-metal-organic-frameworks <div class="field field-name-field-a1-authors field-type-taxonomy-term-reference field-label-hidden"> <span class="field-items"> <a href="/publication-authors/j-wieme" typeof="skos:Concept" property="rdfs:label skos:prefLabel" datatype="">J. Wieme</a>, <a href="/publication-authors/l-vanduyfhuys" typeof="skos:Concept" property="rdfs:label skos:prefLabel" datatype="">L. Vanduyfhuys</a>, <a href="/publication-authors/k-lejaeghere" typeof="skos:Concept" property="rdfs:label skos:prefLabel" datatype="">K. Lejaeghere</a>, <a href="/publication-authors/smj-rogge" typeof="skos:Concept" property="rdfs:label skos:prefLabel" datatype="">S.M.J. Rogge</a>, <a href="/publication-authors/v-van-speybroeck" typeof="skos:Concept" property="rdfs:label skos:prefLabel" datatype="">V. Van Speybroeck</a> </span> </div> <div class="field field-name-field-isbn-issn field-type-text field-label-hidden"> <div class="field-items"> <div class="field-item even">ISBN/ISSN:</div> </div> </div> <div class="field field-name-field-poster-or-talk field-type-list-text field-label-hidden"> <div class="field-items"> <div class="field-item even">Poster</div> </div> </div> <div class="field field-name-field-conference-name field-type-text field-label-above"> <h3><div class="field-label">Conference / event / venue&nbsp;</div></h3> <div class="field-items"> <div class="field-item even">Hands-on workshop density-functional theory and beyond: First-principles simulations of molecules and materials</div> </div> </div> <div class="field field-name-field-conference-location field-type-text field-label-hidden"> <div class="field-items"> <div class="field-item even">Berlin, Germany</div> </div> </div> <div class="field field-name-field-conference-dates field-type-date field-label-hidden"> <div class="field-items"> <div class="field-item even"><span class="date-display-range"><span class="date-display-start" property="dc:date" datatype="xsd:dateTime" content="2015-07-13T00:00:00+02:00">Monday, 13 July, 2015</span> to <span class="date-display-end" property="dc:date" datatype="xsd:dateTime" content="2015-07-23T00:00:00+02:00">Thursday, 23 July, 2015</span></span></div> </div> </div> <div class="field field-name-field-abstract-private field-type-file field-label-above"> <h3><div class="field-label">Abstract (private)&nbsp;</div></h3> <div class="field-items"> <div class="field-item even"><span class="file"><img class="file-icon" alt="PDF icon" title="application/pdf" src="/modules/file/icons/application-pdf.png" /> <a href="https://molmod.ugent.be/system/files/abstract_3.pdf" type="application/pdf; length=52926">abstract.pdf</a></span></div> </div> </div> <div class="field field-name-field-conference-reference field-type-taxonomy-term-reference field-label-above"> <h3 class="field-label">Conference reference</h3> <span class="field-items"> <a href="/conferences/hands-workshop-density-functional-theory-and-beyond-first-principles-simulations-0" typeof="skos:Concept" property="rdfs:label skos:prefLabel" datatype="">Hands-on workshop density-functional theory and beyond: First-principles simulations of molecules and materials</a> </span> </div> Wed, 08 Jul 2015 19:38:54 +0000 jelle 3822 at https://molmod.ugent.be https://molmod.ugent.be/c1_c3_publications/advanced-molecular-simulations-accurately-characterize-metal-organic-frameworks#comments A comparison of barostats for the mechanical characterisation of MOFs https://molmod.ugent.be/c1_c3_publications/comparison-barostats-mechanical-characterisation-mofs <div class="field field-name-field-a1-authors field-type-taxonomy-term-reference field-label-hidden"> <span class="field-items"> <a href="/publication-authors/smj-rogge" typeof="skos:Concept" property="rdfs:label skos:prefLabel" datatype="">S.M.J. Rogge</a>, <a href="/publication-authors/l-vanduyfhuys" typeof="skos:Concept" property="rdfs:label skos:prefLabel" datatype="">L. Vanduyfhuys</a>, <a href="/publication-authors/t-verstraelen" typeof="skos:Concept" property="rdfs:label skos:prefLabel" datatype="">T. Verstraelen</a>, <a href="/publication-authors/m-waroquier" typeof="skos:Concept" property="rdfs:label skos:prefLabel" datatype="">M. Waroquier</a>, <a href="/publication-authors/g-maurin" typeof="skos:Concept" property="rdfs:label skos:prefLabel" datatype="">G. Maurin</a>, <a href="/publication-authors/v-van-speybroeck" typeof="skos:Concept" property="rdfs:label skos:prefLabel" datatype="">V. Van Speybroeck</a> </span> </div> <div class="field field-name-field-isbn-issn field-type-text field-label-hidden"> <div class="field-items"> <div class="field-item even">ISBN/ISSN:</div> </div> </div> <div class="field field-name-field-poster-or-talk field-type-list-text field-label-hidden"> <div class="field-items"> <div class="field-item even">Poster</div> </div> </div> <div class="field field-name-field-conference-name field-type-text field-label-above"> <h3><div class="field-label">Conference / event / venue&nbsp;</div></h3> <div class="field-items"> <div class="field-item even">Hands-on workshop density-functional theory and beyond: First-principles simulations of molecules and materials</div> </div> </div> <div class="field field-name-field-conference-location field-type-text field-label-hidden"> <div class="field-items"> <div class="field-item even">Berlin, Germany</div> </div> </div> <div class="field field-name-field-conference-dates field-type-date field-label-hidden"> <div class="field-items"> <div class="field-item even"><span class="date-display-range"><span class="date-display-start" property="dc:date" datatype="xsd:dateTime" content="2015-07-13T00:00:00+02:00">Monday, 13 July, 2015</span> to <span class="date-display-end" property="dc:date" datatype="xsd:dateTime" content="2015-07-23T00:00:00+02:00">Thursday, 23 July, 2015</span></span></div> </div> </div> <div class="field field-name-field-abstract-private field-type-file field-label-above"> <h3><div class="field-label">Abstract (private)&nbsp;</div></h3> <div class="field-items"> <div class="field-item even"><span class="file"><img class="file-icon" alt="PDF icon" title="application/pdf" src="/modules/file/icons/application-pdf.png" /> <a href="https://molmod.ugent.be/system/files/poster_Berlin_2.pdf" type="application/pdf; length=1864017">poster_Berlin_2.pdf</a></span></div> </div> </div> <div class="field field-name-field-conference-reference field-type-taxonomy-term-reference field-label-above"> <h3 class="field-label">Conference reference</h3> <span class="field-items"> <a href="/conferences/hands-workshop-density-functional-theory-and-beyond-first-principles-simulations-0" typeof="skos:Concept" property="rdfs:label skos:prefLabel" datatype="">Hands-on workshop density-functional theory and beyond: First-principles simulations of molecules and materials</a> </span> </div> Wed, 08 Jul 2015 09:34:45 +0000 sven 3820 at https://molmod.ugent.be https://molmod.ugent.be/c1_c3_publications/comparison-barostats-mechanical-characterisation-mofs#comments Hands-on workshop density-functional theory and beyond: First-principles simulations of molecules and materials https://molmod.ugent.be/travel/hands-workshop-density-functional-theory-and-beyond-first-principles-simulations-molecules <div class="field field-name-field-conference-location field-type-text field-label-hidden"> <div class="field-items"> <div class="field-item even">Berlin, Germany</div> </div> </div> <div class="field field-name-field-conference-dates field-type-date field-label-hidden"> <div class="field-items"> <div class="field-item even"><span class="date-display-range"><span class="date-display-start" property="dc:date" datatype="xsd:dateTime" content="2015-07-13T00:00:00+02:00">Monday, 13 July, 2015</span> to <span class="date-display-end" property="dc:date" datatype="xsd:dateTime" content="2015-07-23T00:00:00+02:00">Thursday, 23 July, 2015</span></span></div> </div> </div> <div class="field field-name-field-a1-authors field-type-taxonomy-term-reference field-label-above"> <h3 class="field-label">Participant(s)</h3> <span class="field-items"> S.M.J. Rogge, R. Demuynck, J. Wieme </span> </div> <div class="field field-name-field-a1-project field-type-taxonomy-term-reference field-label-above"> <h3 class="field-label">Project ref.</h3> <span class="field-items"> FWO S. Rogge FWO3F02014004601, FWO mandaat, FWO MOFs (3G048612) B/12561/* </span> </div> <div class="field field-name-field-conference-reference field-type-taxonomy-term-reference field-label-above"> <h3 class="field-label">Conference reference</h3> <span class="field-items"> Hands-on workshop density-functional theory and beyond: First-principles simulations of molecules and materials </span> </div> Wed, 15 Apr 2015 07:20:30 +0000 wim 3686 at https://molmod.ugent.be https://molmod.ugent.be/travel/hands-workshop-density-functional-theory-and-beyond-first-principles-simulations-molecules#comments