Center for Molecular Modeling - S. Rogge https://molmod.ugent.be/publication-authors/s-rogge en Modelling complex, stimuli-induced order–disorder transitions in metal– organic frameworks https://molmod.ugent.be/c1_c3_publications/modelling-complex-stimuli-induced-order%E2%80%93disorder-transitions-metal%E2%80%93-organic <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-nicholas" typeof="skos:Concept" property="rdfs:label skos:prefLabel" datatype="">T. Nicholas</a>, <a href="/publication-authors/s-rogge" typeof="skos:Concept" property="rdfs:label skos:prefLabel" datatype="">S. Rogge</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">AI4AM2025</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">Donostia-San Sebastian, Spain</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="2025-04-08T00:00:00+02:00">Tuesday, 8 April, 2025</span> to <span class="date-display-end" property="dc:date" datatype="xsd:dateTime" content="2025-04-10T00:00:00+02:00">Thursday, 10 April, 2025</span></span></div> </div> </div> Tue, 14 Oct 2025 13:09:35 +0000 tnicholas 6508 at https://molmod.ugent.be https://molmod.ugent.be/c1_c3_publications/modelling-complex-stimuli-induced-order%E2%80%93disorder-transitions-metal%E2%80%93-organic#comments Modelling elusive order-disorder phase transitions in metal–organic frameworks https://molmod.ugent.be/c1_c3_publications/modelling-elusive-order-disorder-phase-transitions-metal%E2%80%93organic-frameworks-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/t-nicholas" typeof="skos:Concept" property="rdfs:label skos:prefLabel" datatype="">T. Nicholas</a>, <a href="/publication-authors/s-rogge" typeof="skos:Concept" property="rdfs:label skos:prefLabel" datatype="">S. Rogge</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">EuroMOF2025 YSS</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">Heraklion, 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-single" property="dc:date" datatype="xsd:dateTime" content="2025-09-21T00:00:00+02:00">Sunday, 21 September, 2025</span></div> </div> </div> Tue, 14 Oct 2025 13:06:56 +0000 tnicholas 6507 at https://molmod.ugent.be https://molmod.ugent.be/c1_c3_publications/modelling-elusive-order-disorder-phase-transitions-metal%E2%80%93organic-frameworks-0#comments Modelling elusive order-disorder phase transitions in metal–organic frameworks https://molmod.ugent.be/c1_c3_publications/modelling-elusive-order-disorder-phase-transitions-metal%E2%80%93organic-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/t-nicholas" typeof="skos:Concept" property="rdfs:label skos:prefLabel" datatype="">T. Nicholas</a>, <a href="/publication-authors/s-rogge" typeof="skos:Concept" property="rdfs:label skos:prefLabel" datatype="">S. Rogge</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">EuroMOF2025</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">Heraklion, 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-single" property="dc:date" datatype="xsd:dateTime" content="2025-09-23T00:00:00+02:00">Tuesday, 23 September, 2025</span></div> </div> </div> Tue, 14 Oct 2025 13:04:27 +0000 tnicholas 6506 at https://molmod.ugent.be https://molmod.ugent.be/c1_c3_publications/modelling-elusive-order-disorder-phase-transitions-metal%E2%80%93organic-frameworks#comments From atomic stress control to stable material design: Towards a full stress control algorithm https://molmod.ugent.be/thesis/atomic-stress-control-stable-material-design-towards-full-stress-control-algorithm <div class="field field-name-field-a1-authors field-type-taxonomy-term-reference field-label-hidden"> <span class="field-items"> S. Geerinckx </span> </div> <div class="field field-name-field-courses field-type-list-text field-label-hidden"> <div class="field-items"> <div class="field-item even">Master of Science in Engineering Physics</div> </div> </div> <div class="field field-name-field-master-year field-type-date field-label-hidden"> <div class="field-items"> <div class="field-item even"><span class="date-display-single" property="dc:date" datatype="xsd:dateTime" content="2025-01-01T00:00:00+01:00">2025</span></div> </div> </div> <div class="field field-name-field-promotoren field-type-taxonomy-term-reference field-label-inline clearfix"> <h3 class="field-label">Supervisors</h3> <span class="field-items"> <a href="/promotors/prof-dr-ir-sven-rogge" typeof="skos:Concept" property="rdfs:label skos:prefLabel" datatype="">Prof. Dr. ir. Sven Rogge</a> </span> </div> Mon, 04 Aug 2025 10:50:50 +0000 mieke 6444 at https://molmod.ugent.be https://molmod.ugent.be/thesis/atomic-stress-control-stable-material-design-towards-full-stress-control-algorithm#comments Understanding and modeling aequous liquid-ZIF intrusion to design reusable and high-impact shock absorbers https://molmod.ugent.be/c1_c3_publications/understanding-and-modeling-aequous-liquid-zif-intrusion-design-reusable-and-high <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-neirynck" typeof="skos:Concept" property="rdfs:label skos:prefLabel" datatype="">J. Neirynck</a>, <a href="/publication-authors/s-rogge" typeof="skos:Concept" property="rdfs:label skos:prefLabel" datatype="">S. Rogge</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">MOLSIM 2025</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">Amsterdam (The Netherlands)</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-single" property="dc:date" datatype="xsd:dateTime" content="2025-01-09T00:00:00+01:00">Thursday, 9 January, 2025</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/MOFSIM2024_JelNeiry.pdf" type="application/pdf; length=17990257">MOFSIM2024_JelNeiry.pdf</a></span></div> </div> </div> Tue, 18 Feb 2025 15:54:24 +0000 jneirynck 6394 at https://molmod.ugent.be https://molmod.ugent.be/c1_c3_publications/understanding-and-modeling-aequous-liquid-zif-intrusion-design-reusable-and-high#comments Computationally modelling hydrogen storage and transport in methane clathrates https://molmod.ugent.be/c1_c3_publications/computationally-modelling-hydrogen-storage-and-transport-methane-clathrates <div class="field field-name-field-a1-authors field-type-taxonomy-term-reference field-label-hidden"> <span class="field-items"> <a href="/publication-authors/lamaire" typeof="skos:Concept" property="rdfs:label skos:prefLabel" datatype="">A. Lamaire</a>, <a href="/publication-authors/s-rogge" typeof="skos:Concept" property="rdfs:label skos:prefLabel" datatype="">S. Rogge</a>, <a href="/publication-authors/p-m-mileo" typeof="skos:Concept" property="rdfs:label skos:prefLabel" datatype="">P. M. Mileo</a>, <a href="/publication-authors/m-houlleberghs" typeof="skos:Concept" property="rdfs:label skos:prefLabel" datatype="">M. Houlleberghs</a>, <a href="/publication-authors/e-breynaert" typeof="skos:Concept" property="rdfs:label skos:prefLabel" datatype="">E. Breynaert</a>, <a href="/publication-authors/ja-martens" typeof="skos:Concept" property="rdfs:label skos:prefLabel" datatype="">J.A. Martens</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">Hydrogen Research Event @ Advanced Engineering 2022</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">Antwerp, 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-single" property="dc:date" datatype="xsd:dateTime" content="2022-05-12T00:00:00+02:00">Thursday, 12 May, 2022</span></div> </div> </div> Fri, 13 May 2022 09:30:38 +0000 aran 5985 at https://molmod.ugent.be https://molmod.ugent.be/c1_c3_publications/computationally-modelling-hydrogen-storage-and-transport-methane-clathrates#comments