Center for Molecular Modeling - EUROMAT 2017 https://molmod.ugent.be/conferences/euromat-2017-0 en Modeling dispersion interactions in flexible metal-organic frameworks: critical influence on phase stability https://molmod.ugent.be/c1_c3_publications/modeling-dispersion-interactions-flexible-metal-organic-frameworks-critical <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/k-lejaeghere" typeof="skos:Concept" property="rdfs:label skos:prefLabel" datatype="">K. Lejaeghere</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">EUROMAT 2017</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">Thessaloniki, Greece</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="2017-09-17T00:00:00+02:00">Sunday, 17 September, 2017</span> to <span class="date-display-end" property="dc:date" datatype="xsd:dateTime" content="2017-09-22T00:00:00+02:00">Friday, 22 September, 2017</span></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/euromat-2017-0" typeof="skos:Concept" property="rdfs:label skos:prefLabel" datatype="">EUROMAT 2017</a> </span> </div> Tue, 12 Sep 2017 07:34:45 +0000 wim 4895 at https://molmod.ugent.be https://molmod.ugent.be/c1_c3_publications/modeling-dispersion-interactions-flexible-metal-organic-frameworks-critical#comments A Multionjective search for alternative tungsten alloys in nuclear fusion https://molmod.ugent.be/c1_c3_publications/multionjective-search-alternative-tungsten-alloys-nuclear-fusion <div class="field field-name-field-a1-authors field-type-taxonomy-term-reference field-label-hidden"> <span class="field-items"> <a href="/publication-authors/k-lejaeghere" typeof="skos:Concept" property="rdfs:label skos:prefLabel" datatype="">K. Lejaeghere</a>, <a href="/publication-authors/s-cottenier" typeof="skos:Concept" property="rdfs:label skos:prefLabel" datatype="">S. Cottenier</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">EUROMAT 2017</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">Thessaloniki, Greece</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="2017-09-17T00:00:00+02:00">Sunday, 17 September, 2017</span> to <span class="date-display-end" property="dc:date" datatype="xsd:dateTime" content="2017-09-22T00:00:00+02:00">Friday, 22 September, 2017</span></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/euromat-2017-0" typeof="skos:Concept" property="rdfs:label skos:prefLabel" datatype="">EUROMAT 2017</a> </span> </div> Tue, 12 Sep 2017 07:33:18 +0000 wim 4894 at https://molmod.ugent.be https://molmod.ugent.be/c1_c3_publications/multionjective-search-alternative-tungsten-alloys-nuclear-fusion#comments Missing linkers: an alternative pathway to UiO-66 electronic structure engineering https://molmod.ugent.be/c1_c3_publications/missing-linkers-alternative-pathway-uio-66-electronic-structure-engineering <div class="field field-name-field-a1-authors field-type-taxonomy-term-reference field-label-hidden"> <span class="field-items"> <a href="/publication-authors/de-vos" typeof="skos:Concept" property="rdfs:label skos:prefLabel" datatype="">A. De Vos</a>, <a href="/publication-authors/k-hendrickx" typeof="skos:Concept" property="rdfs:label skos:prefLabel" datatype="">K. Hendrickx</a>, <a href="/publication-authors/p-van-der-voort" typeof="skos:Concept" property="rdfs:label skos:prefLabel" datatype="">P. Van der Voort</a>, <a href="/publication-authors/v-van-speybroeck" typeof="skos:Concept" property="rdfs:label skos:prefLabel" datatype="">V. Van Speybroeck</a>, <a href="/publication-authors/k-lejaeghere" typeof="skos:Concept" property="rdfs:label skos:prefLabel" datatype="">K. Lejaeghere</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">Talk</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">EUROMAT 2017</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">Thessaloniki, Greece</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="2017-09-17T00:00:00+02:00">Sunday, 17 September, 2017</span> to <span class="date-display-end" property="dc:date" datatype="xsd:dateTime" content="2017-09-22T00:00:00+02:00">Friday, 22 September, 2017</span></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/euromat-2017-0" typeof="skos:Concept" property="rdfs:label skos:prefLabel" datatype="">EUROMAT 2017</a> </span> </div> Tue, 12 Sep 2017 07:29:58 +0000 wim 4893 at https://molmod.ugent.be https://molmod.ugent.be/c1_c3_publications/missing-linkers-alternative-pathway-uio-66-electronic-structure-engineering#comments Unraveling the behavior of UiO-66 during the dehydration process at elevated temperature https://molmod.ugent.be/c1_c3_publications/unraveling-behavior-uio-66-during-dehydration-process-elevated-temperature <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-hajek" typeof="skos:Concept" property="rdfs:label skos:prefLabel" datatype="">J. Hajek</a>, <a href="/publication-authors/k-de-wispelaere" typeof="skos:Concept" property="rdfs:label skos:prefLabel" datatype="">K. De Wispelaere</a>, <a href="/publication-authors/r-demuynck" typeof="skos:Concept" property="rdfs:label skos:prefLabel" datatype="">R. Demuynck</a>, <a href="/publication-authors/m-waroquier" typeof="skos:Concept" property="rdfs:label skos:prefLabel" datatype="">M. Waroquier</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">Talk</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">EUROMAT 2017</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">Thessaloniki, Greece</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="2017-09-17T00:00:00+02:00">Sunday, 17 September, 2017</span> to <span class="date-display-end" property="dc:date" datatype="xsd:dateTime" content="2017-09-22T00:00:00+02:00">Friday, 22 September, 2017</span></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/euromat-2017-0" typeof="skos:Concept" property="rdfs:label skos:prefLabel" datatype="">EUROMAT 2017</a> </span> </div> Tue, 12 Sep 2017 07:28:02 +0000 wim 4892 at https://molmod.ugent.be https://molmod.ugent.be/c1_c3_publications/unraveling-behavior-uio-66-during-dehydration-process-elevated-temperature#comments Exploring the flexibility of MIL-47(V)-type materials using force field molecular dynamics simulations https://molmod.ugent.be/c1_c3_publications/exploring-flexibility-mil-47v-type-materials-using-force-field-molecular-0 <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/smj-rogge" typeof="skos:Concept" property="rdfs:label skos:prefLabel" datatype="">S.M.J. Rogge</a>, <a href="/publication-authors/m-waroquier" typeof="skos:Concept" property="rdfs:label skos:prefLabel" datatype="">M. Waroquier</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">Talk</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">EUROMAT 2017</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">Thessaloniki, Greece</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="2017-09-17T00:00:00+02:00">Sunday, 17 September, 2017</span> to <span class="date-display-end" property="dc:date" datatype="xsd:dateTime" content="2017-09-22T00:00:00+02:00">Friday, 22 September, 2017</span></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/euromat-2017-0" typeof="skos:Concept" property="rdfs:label skos:prefLabel" datatype="">EUROMAT 2017</a> </span> </div> Tue, 12 Sep 2017 07:25:03 +0000 wim 4891 at https://molmod.ugent.be https://molmod.ugent.be/c1_c3_publications/exploring-flexibility-mil-47v-type-materials-using-force-field-molecular-0#comments Towards a molecular level understanding of metal-organic frameworks https://molmod.ugent.be/c1_c3_publications/towards-molecular-level-understanding-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/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">Keynote</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">EUROMAT 2017</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">Thessaloniki, Greece</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="2017-09-17T00:00:00+02:00">Sunday, 17 September, 2017</span> to <span class="date-display-end" property="dc:date" datatype="xsd:dateTime" content="2017-09-22T00:00:00+02:00">Friday, 22 September, 2017</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_VanSpeybroeck.pdf" type="application/pdf; length=336720">Abstract_VanSpeybroeck.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/euromat-2017-0" typeof="skos:Concept" property="rdfs:label skos:prefLabel" datatype="">EUROMAT 2017</a> </span> </div> Tue, 12 Sep 2017 07:16:52 +0000 wim 4890 at https://molmod.ugent.be https://molmod.ugent.be/c1_c3_publications/towards-molecular-level-understanding-metal-organic-frameworks#comments EUROMAT 2017 https://molmod.ugent.be/travel/euromat-2017 <div class="field field-name-field-conference-location field-type-text field-label-hidden"> <div class="field-items"> <div class="field-item even">ThessalonĂ­ki, Greece</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="2017-09-17T00:00:00+02:00">Sunday, 17 September, 2017</span> to <span class="date-display-end" property="dc:date" datatype="xsd:dateTime" content="2017-09-22T00:00:00+02:00">Friday, 22 September, 2017</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"> A. De Vos, J. Wieme, S. De Waele, S.M.J. Rogge, J. Hajek, L. Vanduyfhuys, K. Lejaeghere, A. Ghysels, V. Van Speybroeck </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 A. De Vos FWO3F02016005101, FWO J. Wieme FWO3F02015006001, FWO K. Lejaeghere FWO3E02016002101, ERC DYNPOR H20ERC2015000301 </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"> EUROMAT 2017 </span> </div> Mon, 17 Jul 2017 15:45:23 +0000 sven 4841 at https://molmod.ugent.be https://molmod.ugent.be/travel/euromat-2017#comments