Center for Molecular Modeling - VASP & ICAMM 2012 https://molmod.ugent.be/conferences/vasp-icamm-2012 en VASP workshop & ICAMM conference https://molmod.ugent.be/travel/vasp-workshop-icamm-conference <div class="field field-name-field-conference-location field-type-text field-label-hidden"> <div class="field-items"> <div class="field-item even">Nantes (France)</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="2012-06-11T00:00:00+02:00">Monday, 11 June, 2012</span> to <span class="date-display-end" property="dc:date" datatype="xsd:dateTime" content="2012-06-16T00:00:00+02:00">Saturday, 16 June, 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"> M. Vandichel, K. Lejaeghere, K. Rijpstra, 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/*, BOF mandaat, FWO mandaat </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"> VASP &amp; ICAMM 2012 </span> </div> Thu, 17 Jan 2013 11:11:18 +0000 wim 1888 at https://molmod.ugent.be https://molmod.ugent.be/travel/vasp-workshop-icamm-conference#comments Selectivity prediction: making the comparison between extended cluster and periodic calculations https://molmod.ugent.be/c1_c3_publications/selectivity-prediction-making-comparison-between-extended-cluster-and-periodic <div class="field field-name-field-a1-authors field-type-taxonomy-term-reference field-label-hidden"> <span class="field-items"> <a href="/publication-authors/m-vandichel" typeof="skos:Concept" property="rdfs:label skos:prefLabel" datatype="">M. Vandichel</a>, <a href="/publication-authors/f-vermoortele" typeof="skos:Concept" property="rdfs:label skos:prefLabel" datatype="">F. Vermoortele</a>, <a href="/publication-authors/s-cottenie" typeof="skos:Concept" property="rdfs:label skos:prefLabel" datatype="">S. Cottenie</a>, <a href="/publication-authors/d-de-vos" typeof="skos:Concept" property="rdfs:label skos:prefLabel" datatype="">D. De Vos</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-abstract-page field-type-text field-label-hidden"> <div class="field-items"> <div class="field-item even">p. 122-123</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">ICAMM 2012 &amp; VASP 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">Nantes, France</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="2012-06-11T00:00:00+02:00">Monday, 11 June, 2012</span> to <span class="date-display-end" property="dc:date" datatype="xsd:dateTime" content="2012-06-15T00:00:00+02:00">Friday, 15 June, 2012</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/ICAMM2012-extended-abstract-vandichel.pdf" type="application/pdf; length=137644">ICAMM2012-extended-abstract-vandichel.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/vasp-icamm-2012" typeof="skos:Concept" property="rdfs:label skos:prefLabel" datatype="">VASP &amp; ICAMM 2012</a> </span> </div> Mon, 02 Jul 2012 14:09:43 +0000 wim 1352 at https://molmod.ugent.be https://molmod.ugent.be/c1_c3_publications/selectivity-prediction-making-comparison-between-extended-cluster-and-periodic#comments Structural trends and band gaps within the Al-Zn-O system https://molmod.ugent.be/c1_c3_publications/structural-trends-and-band-gaps-within-al-zn-o-system <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/s-cottenier" typeof="skos:Concept" property="rdfs:label skos:prefLabel" datatype="">S. Cottenier</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-abstract-page field-type-text field-label-hidden"> <div class="field-items"> <div class="field-item even">p. 112</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">ICAMM 2012 &amp; VASP 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">Nantes, France</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="2012-06-11T00:00:00+02:00">Monday, 11 June, 2012</span> to <span class="date-display-end" property="dc:date" datatype="xsd:dateTime" content="2012-06-16T00:00:00+02:00">Saturday, 16 June, 2012</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/2012%20Kim_Rijpstra_ICAMM-short-abstract.pdf" type="application/pdf; length=101276">2012 Kim_Rijpstra_ICAMM-short-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/vasp-icamm-2012" typeof="skos:Concept" property="rdfs:label skos:prefLabel" datatype="">VASP &amp; ICAMM 2012</a> </span> </div> Mon, 02 Jul 2012 14:07:31 +0000 wim 1351 at https://molmod.ugent.be https://molmod.ugent.be/c1_c3_publications/structural-trends-and-band-gaps-within-al-zn-o-system#comments The ground state elemental crystals as a benchmark set for solid state DFT: intrinsic accuracy and code comparison https://molmod.ugent.be/c1_c3_publications/ground-state-elemental-crystals-benchmark-set-solid-state-dft-intrinsic-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/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>, <a href="/publication-authors/g-van-oost" typeof="skos:Concept" property="rdfs:label skos:prefLabel" datatype="">G. Van Oost</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. 34-35</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">(presenting author S. Cottenier) ICAMM 2012 &amp; VASP 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">Nantes, France</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="2012-06-11T00:00:00+02:00">Monday, 11 June, 2012</span> to <span class="date-display-end" property="dc:date" datatype="xsd:dateTime" content="2012-06-16T00:00:00+02:00">Saturday, 16 June, 2012</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/ICAMM2012-Kurt_Lejaeghere_v3.pdf" type="application/pdf; length=96432">ICAMM2012-Kurt_Lejaeghere_v3.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/vasp-icamm-2012" typeof="skos:Concept" property="rdfs:label skos:prefLabel" datatype="">VASP &amp; ICAMM 2012</a> </span> </div> Mon, 02 Jul 2012 14:05:55 +0000 wim 1350 at https://molmod.ugent.be https://molmod.ugent.be/c1_c3_publications/ground-state-elemental-crystals-benchmark-set-solid-state-dft-intrinsic-0#comments