Center for Molecular Modeling - Prof. Dr. ir. T. Verstraelen https://molmod.ugent.be/promotors/prof-dr-ir-t-verstraelen en New tools for high-dimensional, expensive, black-box global optimization functions applied to ReaxFF parameterizations https://molmod.ugent.be/thesis/new-tools-high-dimensional-expensive-black-box-global-optimization-functions-applied-reaxff <div class="field field-name-field-a1-authors field-type-taxonomy-term-reference field-label-hidden"> <span class="field-items"> M. Freitas Gustavo </span> </div> <div class="field field-name-field-thesis-date 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="2023-06-29T00:00:00+02:00">Thu, 29/06/2023</span></div> </div> </div> <div class="field field-name-field-location field-type-list-text field-label-hidden"> <div class="field-items"> <div class="field-item even">Faculty of Engineering and Architecture, Jozef Plateaustraat, Ghent</div> </div> </div> <div class="field field-name-field-lib-link field-type-text field-label-hidden"> <div class="field-items"> <div class="field-item even"><div class="tex2jax"><p><a href="https://biblio.ugent.be/publication/01H4ECCPZ05Q4T3AD186RAJ2G7">https://biblio.ugent.be/publication/01H4ECCPZ05Q4T3AD186RAJ2G7</a></p> </div></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-t-verstraelen" typeof="skos:Concept" property="rdfs:label skos:prefLabel" datatype="">Prof. Dr. ir. T. Verstraelen</a> </span> </div> Thu, 24 Aug 2023 08:37:14 +0000 leen 6162 at https://molmod.ugent.be https://molmod.ugent.be/thesis/new-tools-high-dimensional-expensive-black-box-global-optimization-functions-applied-reaxff#comments Development of accurate and reliable methods for in silico modeling of adsorption in nanoporous materials https://molmod.ugent.be/thesis/development-accurate-and-reliable-methods-silico-modeling-adsorption-nanoporous-materials <div class="field field-name-field-a1-authors field-type-taxonomy-term-reference field-label-hidden"> <span class="field-items"> R. Goeminne </span> </div> <div class="field field-name-field-thesis-date 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="2023-07-10T00:00:00+02:00">Mon, 10/07/2023</span></div> </div> </div> <div class="field field-name-field-location field-type-list-text field-label-hidden"> <div class="field-items"> <div class="field-item even">Het Pand, Onderbergen, Ghent</div> </div> </div> <div class="field field-name-field-lib-link field-type-text field-label-hidden"> <div class="field-items"> <div class="field-item even"><div class="tex2jax"><p><a href="https://biblio.ugent.be/publication/01H66JD5EDJKY15EH4AS9M1Y6E">https://biblio.ugent.be/publication/01H66JD5EDJKY15EH4AS9M1Y6E</a></p> </div></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-t-verstraelen" typeof="skos:Concept" property="rdfs:label skos:prefLabel" datatype="">Prof. Dr. ir. T. Verstraelen</a> </span> </div> <div class="field field-name-field-private-thesis-attachment field-type-file field-label-above"> <h3><div class="field-label">Attachment (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/phd-rubengoeminne-1_compressed.pdf" type="application/pdf; length=5530460">phd-rubengoeminne-1_compressed.pdf</a></span></div> </div> </div> Thu, 24 Aug 2023 08:35:36 +0000 leen 6161 at https://molmod.ugent.be https://molmod.ugent.be/thesis/development-accurate-and-reliable-methods-silico-modeling-adsorption-nanoporous-materials#comments Constructing a new localization scheme to improve the electrostatic potential of explicit electron force fields https://molmod.ugent.be/thesis/constructing-new-localization-scheme-improve-electrostatic-potential-explicit-electron-force <div class="field field-name-field-a1-authors field-type-taxonomy-term-reference field-label-hidden"> <span class="field-items"> S. Frederix </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 Physics and Astronomy</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="2021-01-01T00:00:00+01:00">2021</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-t-verstraelen" typeof="skos:Concept" property="rdfs:label skos:prefLabel" datatype="">Prof. Dr. ir. T. Verstraelen</a> </span> </div> Thu, 24 Mar 2022 10:08:46 +0000 leen 5956 at https://molmod.ugent.be https://molmod.ugent.be/thesis/constructing-new-localization-scheme-improve-electrostatic-potential-explicit-electron-force#comments