Center for Molecular Modeling - 19th WIEN2k WORKSHOP https://molmod.ugent.be/conferences/19th-wien2k-workshop-0 en 19th WIEN2k WORKSHOP https://molmod.ugent.be/travel/19th-wien2k-workshop <div class="field field-name-field-conference-location field-type-text field-label-hidden"> <div class="field-items"> <div class="field-item even">Waseda University, Japan</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="2012-09-03T00:00:00+02:00">Monday, 3 September, 2012</span> to <span class="date-display-end" property="dc:date" datatype="xsd:dateTime" content="2012-09-07T00:00:00+02:00">Friday, 7 September, 2012</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. Cottenier </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"> SBO In Silico Materials B/10784/*, FWO Mercurius (3G040211) B/11781/* </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"> 19th WIEN2k WORKSHOP </span> </div> Thu, 17 Jan 2013 11:03:08 +0000 wim 1885 at https://molmod.ugent.be https://molmod.ugent.be/travel/19th-wien2k-workshop#comments Pragmatic band gap calculations as a sieve for experimental tabulations https://molmod.ugent.be/c1_c3_publications/pragmatic-band-gap-calculations-sieve-experimental-tabulations <div class="field field-name-field-a1-authors field-type-taxonomy-term-reference field-label-hidden"> <span class="field-items"> <a href="/publication-authors/dm-tomecka" typeof="skos:Concept" property="rdfs:label skos:prefLabel" datatype="">D.M. Tomecka</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>, <a href="/publication-authors/s-cottenier" typeof="skos:Concept" property="rdfs:label skos:prefLabel" datatype="">S. Cottenier</a> </span> </div> <div class="field field-name-field-abstract-page field-type-text field-label-hidden"> <div class="field-items"> <div class="field-item even">p. </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">19th wien2k Workshop</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">Waseda University, Tokyo, Japan </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="2012-09-03T00:00:00+02:00">Monday, 3 September, 2012</span> to <span class="date-display-end" property="dc:date" datatype="xsd:dateTime" content="2012-09-07T00:00:00+02:00">Friday, 7 September, 2012</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/19th-wien2k-workshop-0" typeof="skos:Concept" property="rdfs:label skos:prefLabel" datatype="">19th WIEN2k WORKSHOP</a> </span> </div> Tue, 28 Aug 2012 06:46:47 +0000 wim 1428 at https://molmod.ugent.be https://molmod.ugent.be/c1_c3_publications/pragmatic-band-gap-calculations-sieve-experimental-tabulations#comments Crystal structure prediction for supersaturated Al-doped ZnO: the case of Zn3Al2O6 https://molmod.ugent.be/c1_c3_publications/crystal-structure-prediction-supersaturated-al-doped-zno-case-zn3al2o6 <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-rijpstra" typeof="skos:Concept" property="rdfs:label skos:prefLabel" datatype="">K. Rijpstra</a>, <a href="/publication-authors/m-waroquier" typeof="skos:Concept" property="rdfs:label skos:prefLabel" datatype="">M. Waroquier</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-abstract-page field-type-text field-label-hidden"> <div class="field-items"> <div class="field-item even">p. </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">19th wien2k Workshop</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">Waseda University, Tokyo, Japan </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="2012-09-03T00:00:00+02:00">Monday, 3 September, 2012</span> to <span class="date-display-end" property="dc:date" datatype="xsd:dateTime" content="2012-09-07T00:00:00+02:00">Friday, 7 September, 2012</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/19th-wien2k-workshop-0" typeof="skos:Concept" property="rdfs:label skos:prefLabel" datatype="">19th WIEN2k WORKSHOP</a> </span> </div> Tue, 28 Aug 2012 06:45:52 +0000 wim 1427 at https://molmod.ugent.be https://molmod.ugent.be/c1_c3_publications/crystal-structure-prediction-supersaturated-al-doped-zno-case-zn3al2o6#comments Crystal structure prediction for iron as inner core material in the Earth and exoplanets https://molmod.ugent.be/c1_c3_publications/crystal-structure-prediction-iron-inner-core-material-earth-and-exoplanets <div class="field field-name-field-a1-authors field-type-taxonomy-term-reference field-label-hidden"> <span class="field-items"> <a href="/publication-authors/s-cottenier" typeof="skos:Concept" property="rdfs:label skos:prefLabel" datatype="">S. Cottenier</a>, <a href="/publication-authors/mij-probert" typeof="skos:Concept" property="rdfs:label skos:prefLabel" datatype="">M.I.J. Probert</a>, <a href="/publication-authors/j-jaeken" typeof="skos:Concept" property="rdfs:label skos:prefLabel" datatype="">J. Jaeken</a>, <a href="/publication-authors/t-van-hoolst" typeof="skos:Concept" property="rdfs:label skos:prefLabel" datatype="">T. Van Hoolst</a>, <a href="/publication-authors/rivoldini" typeof="skos:Concept" property="rdfs:label skos:prefLabel" datatype="">A. Rivoldini</a>, <a href="/publication-authors/m-waroquier" typeof="skos:Concept" property="rdfs:label skos:prefLabel" datatype="">M. Waroquier</a> </span> </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">19th wien2k Workshop</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">Waseda University, Tokyo, Japan </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="2012-09-03T00:00:00+02:00">Monday, 3 September, 2012</span> to <span class="date-display-end" property="dc:date" datatype="xsd:dateTime" content="2012-09-07T00:00:00+02:00">Friday, 7 September, 2012</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/19th-wien2k-workshop-0" typeof="skos:Concept" property="rdfs:label skos:prefLabel" datatype="">19th WIEN2k WORKSHOP</a> </span> </div> Tue, 28 Aug 2012 06:44:57 +0000 wim 1426 at https://molmod.ugent.be https://molmod.ugent.be/c1_c3_publications/crystal-structure-prediction-iron-inner-core-material-earth-and-exoplanets#comments