Center for Molecular Modeling - First Symposium on Computational Chemistry in Flanders: Computational Design of Drugs and Materials https://molmod.ugent.be/conferences/first-symposium-computational-chemistry-flanders-computational-design-drugs-and-0 en MLP-Driven Monte Carlo Exploration of Al/Si Zeolite Configurations https://molmod.ugent.be/c1_c3_publications/mlp-driven-monte-carlo-exploration-alsi-zeolite-configurations <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-di-piro" typeof="skos:Concept" property="rdfs:label skos:prefLabel" datatype="">K. Di Piro</a>, <a href="/publication-authors/j-vekeman" typeof="skos:Concept" property="rdfs:label skos:prefLabel" datatype="">J. Vekeman</a>, <a href="/publication-authors/t-verstraelen" typeof="skos:Concept" property="rdfs:label skos:prefLabel" datatype="">T. Verstraelen</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-location field-type-text field-label-hidden"> <div class="field-items"> <div class="field-item even">Brussel, 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="2025-12-12T00:00:00+01:00">Friday, 12 December, 2025</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/first-symposium-computational-chemistry-flanders-computational-design-drugs-and-0" typeof="skos:Concept" property="rdfs:label skos:prefLabel" datatype="">First Symposium on Computational Chemistry in Flanders: Computational Design of Drugs and Materials</a> </span> </div> Thu, 22 Jan 2026 11:11:07 +0000 toon 6528 at https://molmod.ugent.be https://molmod.ugent.be/c1_c3_publications/mlp-driven-monte-carlo-exploration-alsi-zeolite-configurations#comments Robust Derivation of Uncertainties, Correlation Times, and Transport Properties from Molecular Dynamics Simulations: A Force Field Validation Study on Squalane https://molmod.ugent.be/c1_c3_publications/robust-derivation-uncertainties-correlation-times-and-transport-properties <div class="field field-name-field-a1-authors field-type-taxonomy-term-reference field-label-hidden"> <span class="field-items"> <a href="/publication-authors/r-bohy" typeof="skos:Concept" property="rdfs:label skos:prefLabel" datatype="">R. Bohy</a>, <a href="/publication-authors/g-toraman" typeof="skos:Concept" property="rdfs:label skos:prefLabel" datatype="">G. Toraman</a>, <a href="/publication-authors/d-fauconnier-0" typeof="skos:Concept" property="rdfs:label skos:prefLabel" datatype="">D. Fauconnier</a>, <a href="/publication-authors/t-verstraelen" typeof="skos:Concept" property="rdfs:label skos:prefLabel" datatype="">T. Verstraelen</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-location field-type-text field-label-hidden"> <div class="field-items"> <div class="field-item even">Brussel, 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="2025-12-12T00:00:00+01:00">Friday, 12 December, 2025</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/first-symposium-computational-chemistry-flanders-computational-design-drugs-and-0" typeof="skos:Concept" property="rdfs:label skos:prefLabel" datatype="">First Symposium on Computational Chemistry in Flanders: Computational Design of Drugs and Materials</a> </span> </div> Thu, 22 Jan 2026 11:09:18 +0000 toon 6527 at https://molmod.ugent.be https://molmod.ugent.be/c1_c3_publications/robust-derivation-uncertainties-correlation-times-and-transport-properties#comments