Center for Molecular Modeling - DFTM2012 https://molmod.ugent.be/conferences/dftm2012-0 en DFTM2012 https://molmod.ugent.be/travel/dftm2012 <div class="field field-name-field-conference-location field-type-text field-label-hidden"> <div class="field-items"> <div class="field-item even">Ghent, Belgium</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="2012-04-01T00:00:00+02:00">Sunday, 1 April, 2012</span> to <span class="date-display-end" property="dc:date" datatype="xsd:dateTime" content="2012-04-06T00:00:00+02:00">Friday, 6 April, 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"> K. Lejaeghere, L. Vanduyfhuys, K. Rijpstra, W. Poelmans, K. Hemelsoet, T. De Meyer, M. Waroquier, D. Van Neck, V. Van Speybroeck, B. Verstichel, M. Degroote, M. Van Houteghem, W. Dewitte </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"> Alliantie (DEF09) I/00048/02, FWO D. Van Neck / P. Bultinck (3G057510) B/10895/* </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"> DFTM2012 </span> </div> Thu, 17 Jan 2013 11:15:18 +0000 wim 1890 at https://molmod.ugent.be https://molmod.ugent.be/travel/dftm2012#comments ACKS2: atom-condensed Khon Sham DFT approximated to second order https://molmod.ugent.be/c1_c3_publications/acks2-atom-condensed-khon-sham-dft-approximated-second-order <div class="field field-name-field-a1-authors field-type-taxonomy-term-reference field-label-hidden"> <span class="field-items"> <a href="/publication-authors/t-verstraelen" typeof="skos:Concept" property="rdfs:label skos:prefLabel" datatype="">T. Verstraelen</a>, <a href="/publication-authors/pw-ayers" typeof="skos:Concept" property="rdfs:label skos:prefLabel" datatype="">P.W. Ayers</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/m-waroquier" typeof="skos:Concept" property="rdfs:label skos:prefLabel" datatype="">M. Waroquier</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">O11</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">DFTM2012</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">Ghent Univeristy, Het Pand, Ghent, Belgium</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="2012-04-01T00:00:00+02:00">Sunday, 1 April, 2012</span> to <span class="date-display-end" property="dc:date" datatype="xsd:dateTime" content="2012-04-06T00:00:00+02:00">Friday, 6 April, 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/DFTM2012_TVerstraelen.pdf" type="application/pdf; length=876376">DFTM2012_TVerstraelen.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/dftm2012-0" typeof="skos:Concept" property="rdfs:label skos:prefLabel" datatype="">DFTM2012</a> </span> </div> Mon, 07 May 2012 08:41:05 +0000 wim 1281 at https://molmod.ugent.be https://molmod.ugent.be/c1_c3_publications/acks2-atom-condensed-khon-sham-dft-approximated-second-order#comments Variational optimization of second order density matrices: the past, the present and the future https://molmod.ugent.be/c1_c3_publications/variational-optimization-second-order-density-matrices-past-present-and-future <div class="field field-name-field-a1-authors field-type-taxonomy-term-reference field-label-hidden"> <span class="field-items"> <a href="/publication-authors/h-van-aggelen" typeof="skos:Concept" property="rdfs:label skos:prefLabel" datatype="">H. van Aggelen</a>, <a href="/publication-authors/b-verstichel" typeof="skos:Concept" property="rdfs:label skos:prefLabel" datatype="">B. Verstichel</a>, <a href="/publication-authors/p-bultinck" typeof="skos:Concept" property="rdfs:label skos:prefLabel" datatype="">P. Bultinck</a>, <a href="/publication-authors/d-van-neck" typeof="skos:Concept" property="rdfs:label skos:prefLabel" datatype="">D. Van Neck</a>, <a href="/publication-authors/pw-ayers" typeof="skos:Concept" property="rdfs:label skos:prefLabel" datatype="">P.W. Ayers</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">O10</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">DFTM2012</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">Ghent Univeristy, Het Pand, Ghent, Belgium</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="2012-04-01T00:00:00+02:00">Sunday, 1 April, 2012</span> to <span class="date-display-end" property="dc:date" datatype="xsd:dateTime" content="2012-04-06T00:00:00+02:00">Friday, 6 April, 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/DFTM2012_HvanAggelen.pdf" type="application/pdf; length=378397">DFTM2012_HvanAggelen.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/dftm2012-0" typeof="skos:Concept" property="rdfs:label skos:prefLabel" datatype="">DFTM2012</a> </span> </div> Mon, 07 May 2012 08:39:41 +0000 wim 1280 at https://molmod.ugent.be https://molmod.ugent.be/c1_c3_publications/variational-optimization-second-order-density-matrices-past-present-and-future#comments Variational density study of the one-dimensional Hubbard model: the need for three-particle constraints https://molmod.ugent.be/c1_c3_publications/variational-density-study-one-dimensional-hubbard-model-need-three-particle <div class="field field-name-field-a1-authors field-type-taxonomy-term-reference field-label-hidden"> <span class="field-items"> <a href="/publication-authors/b-verstichel" typeof="skos:Concept" property="rdfs:label skos:prefLabel" datatype="">B. Verstichel</a>, <a href="/publication-authors/h-van-aggelen" typeof="skos:Concept" property="rdfs:label skos:prefLabel" datatype="">H. van Aggelen</a>, <a href="/publication-authors/w-poelmans" typeof="skos:Concept" property="rdfs:label skos:prefLabel" datatype="">W. Poelmans</a>, <a href="/publication-authors/d-van-neck" typeof="skos:Concept" property="rdfs:label skos:prefLabel" datatype="">D. Van Neck</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">P38</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">DFTM2012</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">Ghent University, Het Pand, Ghent, Belgium</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="2012-04-01T00:00:00+02:00">Sunday, 1 April, 2012</span> to <span class="date-display-end" property="dc:date" datatype="xsd:dateTime" content="2012-04-06T00:00:00+02:00">Friday, 6 April, 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/DFTM2012_BVerstichel.pdf" type="application/pdf; length=303687">DFTM2012_BVerstichel.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/dftm2012-0" typeof="skos:Concept" property="rdfs:label skos:prefLabel" datatype="">DFTM2012</a> </span> </div> Mon, 07 May 2012 08:36:14 +0000 wim 1279 at https://molmod.ugent.be https://molmod.ugent.be/c1_c3_publications/variational-density-study-one-dimensional-hubbard-model-need-three-particle#comments Improving spin-(other)-orbit contributions to the g-tensor in a periodic DFT approach https://molmod.ugent.be/c1_c3_publications/improving-spin-other-orbit-contributions-g-tensor-periodic-dft-approach <div class="field field-name-field-a1-authors field-type-taxonomy-term-reference field-label-hidden"> <span class="field-items"> <a href="/publication-authors/van-yperen-de-deyne" typeof="skos:Concept" property="rdfs:label skos:prefLabel" datatype="">A. Van Yperen-De Deyne</a>, <a href="/publication-authors/e-pauwels" typeof="skos:Concept" property="rdfs:label skos:prefLabel" datatype="">E. Pauwels</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/m-waroquier" typeof="skos:Concept" property="rdfs:label skos:prefLabel" datatype="">M. Waroquier</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">P37</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">DFTM2012</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">Ghent University, Het Pand, Ghent, Belgium</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="2012-04-01T00:00:00+02:00">Sunday, 1 April, 2012</span> to <span class="date-display-end" property="dc:date" datatype="xsd:dateTime" content="2012-04-06T00:00:00+02:00">Friday, 6 April, 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/DFTM2012_PJohnson_0.pdf" type="application/pdf; length=297604">DFTM2012_PJohnson.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/dftm2012-0" typeof="skos:Concept" property="rdfs:label skos:prefLabel" datatype="">DFTM2012</a> </span> </div> Mon, 07 May 2012 08:14:47 +0000 wim 1278 at https://molmod.ugent.be https://molmod.ugent.be/c1_c3_publications/improving-spin-other-orbit-contributions-g-tensor-periodic-dft-approach#comments Using density functional theory for estimating force field parameters https://molmod.ugent.be/c1_c3_publications/using-density-functional-theory-estimating-force-field-parameters <div class="field field-name-field-a1-authors field-type-taxonomy-term-reference field-label-hidden"> <span class="field-items"> <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-vandichel" typeof="skos:Concept" property="rdfs:label skos:prefLabel" datatype="">M. Vandichel</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">P36</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">DFTM2012</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">Ghent University, Het Pand, Ghent, Belgium</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="2012-04-01T00:00:00+02:00">Sunday, 1 April, 2012</span> to <span class="date-display-end" property="dc:date" datatype="xsd:dateTime" content="2012-04-06T00:00:00+02:00">Friday, 6 April, 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/DFTM2012_LVanduyfhuys.pdf" type="application/pdf; length=445129">DFTM2012_LVanduyfhuys.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/dftm2012-0" typeof="skos:Concept" property="rdfs:label skos:prefLabel" datatype="">DFTM2012</a> </span> </div> Mon, 07 May 2012 08:12:48 +0000 wim 1277 at https://molmod.ugent.be https://molmod.ugent.be/c1_c3_publications/using-density-functional-theory-estimating-force-field-parameters#comments Three particles constraint as linear inequalities in v2DM optimization https://molmod.ugent.be/c1_c3_publications/three-particles-constraint-linear-inequalities-v2dm-optimization <div class="field field-name-field-a1-authors field-type-taxonomy-term-reference field-label-hidden"> <span class="field-items"> <a href="/publication-authors/w-poelmans" typeof="skos:Concept" property="rdfs:label skos:prefLabel" datatype="">W. Poelmans</a>, <a href="/publication-authors/b-verstichel" typeof="skos:Concept" property="rdfs:label skos:prefLabel" datatype="">B. Verstichel</a>, <a href="/publication-authors/d-van-neck" typeof="skos:Concept" property="rdfs:label skos:prefLabel" datatype="">D. Van Neck</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">P30</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">DFTM2012</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">Ghent University, Het Pand, Ghent, Belgium</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="2012-04-01T00:00:00+02:00">Sunday, 1 April, 2012</span> to <span class="date-display-end" property="dc:date" datatype="xsd:dateTime" content="2012-04-06T00:00:00+02:00">Friday, 6 April, 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/DFTM2012_WPoelmans.pdf" type="application/pdf; length=410350">DFTM2012_WPoelmans.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/dftm2012-0" typeof="skos:Concept" property="rdfs:label skos:prefLabel" datatype="">DFTM2012</a> </span> </div> Mon, 07 May 2012 08:09:10 +0000 wim 1276 at https://molmod.ugent.be https://molmod.ugent.be/c1_c3_publications/three-particles-constraint-linear-inequalities-v2dm-optimization#comments Trans effect: withdrawing electrons from the reactive region https://molmod.ugent.be/c1_c3_publications/trans-effect-withdrawing-electrons-reactive-region <div class="field field-name-field-a1-authors field-type-taxonomy-term-reference field-label-hidden"> <span class="field-items"> <a href="/publication-authors/b-pinter" typeof="skos:Concept" property="rdfs:label skos:prefLabel" datatype="">B. Pinter</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/m-waroquier" typeof="skos:Concept" property="rdfs:label skos:prefLabel" datatype="">M. Waroquier</a>, <a href="/publication-authors/p-geerlings" typeof="skos:Concept" property="rdfs:label skos:prefLabel" datatype="">P. Geerlings</a>, <a href="/publication-authors/f-de-proft" typeof="skos:Concept" property="rdfs:label skos:prefLabel" datatype="">F. De Proft</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">P28</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">DFTM2012</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">Ghent University, Het Pand, Ghent, Belgium</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="2012-04-01T00:00:00+02:00">Sunday, 1 April, 2012</span> to <span class="date-display-end" property="dc:date" datatype="xsd:dateTime" content="2012-04-06T00:00:00+02:00">Friday, 6 April, 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/DFTM2012_BPinter.pdf" type="application/pdf; length=313157">DFTM2012_BPinter.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/dftm2012-0" typeof="skos:Concept" property="rdfs:label skos:prefLabel" datatype="">DFTM2012</a> </span> </div> Mon, 07 May 2012 08:07:21 +0000 wim 1275 at https://molmod.ugent.be https://molmod.ugent.be/c1_c3_publications/trans-effect-withdrawing-electrons-reactive-region#comments A Khon-Sham-like model for the l-body reduced density matrix from a strongly-correlated reference https://molmod.ugent.be/c1_c3_publications/khon-sham-model-l-body-reduced-density-matrix-strongly-correlated-reference <div class="field field-name-field-a1-authors field-type-taxonomy-term-reference field-label-hidden"> <span class="field-items"> <a href="/publication-authors/pa-johnson" typeof="skos:Concept" property="rdfs:label skos:prefLabel" datatype="">P.A. Johnson</a>, <a href="/publication-authors/pw-ayers" typeof="skos:Concept" property="rdfs:label skos:prefLabel" datatype="">P.W. Ayers</a>, <a href="/publication-authors/s-de-baerdemacker" typeof="skos:Concept" property="rdfs:label skos:prefLabel" datatype="">S. De Baerdemacker</a>, <a href="/publication-authors/d-van-neck" typeof="skos:Concept" property="rdfs:label skos:prefLabel" datatype="">D. Van Neck</a>, <a href="/publication-authors/p-bultinck" typeof="skos:Concept" property="rdfs:label skos:prefLabel" datatype="">P. Bultinck</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">P17</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">DFTM2012</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">Ghent University, Het Pand, Ghent, Belgium</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="2012-04-01T00:00:00+02:00">Sunday, 1 April, 2012</span> to <span class="date-display-end" property="dc:date" datatype="xsd:dateTime" content="2012-04-06T00:00:00+02:00">Friday, 6 April, 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/DFTM2012_PJohnson.pdf" type="application/pdf; length=297604">DFTM2012_PJohnson.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/dftm2012-0" typeof="skos:Concept" property="rdfs:label skos:prefLabel" datatype="">DFTM2012</a> </span> </div> Mon, 07 May 2012 08:04:26 +0000 wim 1274 at https://molmod.ugent.be https://molmod.ugent.be/c1_c3_publications/khon-sham-model-l-body-reduced-density-matrix-strongly-correlated-reference#comments Free energy profile of "breathing" flexible porous frameworks https://molmod.ugent.be/c1_c3_publications/free-energy-profile-breathing-flexible-porous-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/ghysels" typeof="skos:Concept" property="rdfs:label skos:prefLabel" datatype="">A. Ghysels</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/m-waroquier" typeof="skos:Concept" property="rdfs:label skos:prefLabel" datatype="">M. Waroquier</a>, <a href="/publication-authors/b-smit" typeof="skos:Concept" property="rdfs:label skos:prefLabel" datatype="">B. Smit</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">P13</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">DFTM2012</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">Ghent University, Het Pand, Ghent, Belgium</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="2012-04-01T00:00:00+02:00">Sunday, 1 April, 2012</span> to <span class="date-display-end" property="dc:date" datatype="xsd:dateTime" content="2012-04-06T00:00:00+02:00">Friday, 6 April, 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/DFTM2012_AGhysels.pdf" type="application/pdf; length=335053">DFTM2012_AGhysels.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/dftm2012-0" typeof="skos:Concept" property="rdfs:label skos:prefLabel" datatype="">DFTM2012</a> </span> </div> Mon, 07 May 2012 08:01:37 +0000 wim 1273 at https://molmod.ugent.be https://molmod.ugent.be/c1_c3_publications/free-energy-profile-breathing-flexible-porous-frameworks#comments