Center for Molecular Modeling - Prof. Dr. ir. Veronique Van Speybroeck https://molmod.ugent.be/promotors/prof-dr-ir-veronique-van-speybroeck en A novel approach to accelerate kinetic Monte Carlo across time scales https://molmod.ugent.be/thesis/novel-approach-accelerate-kinetic-monte-carlo-across-time-scales <div class="field field-name-field-a1-authors field-type-taxonomy-term-reference field-label-hidden"> <span class="field-items"> E. Van Hove </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-veronique-van-speybroeck" typeof="skos:Concept" property="rdfs:label skos:prefLabel" datatype="">Prof. Dr. ir. Veronique Van Speybroeck</a> </span> </div> Mon, 04 Aug 2025 10:54:49 +0000 mieke 6446 at https://molmod.ugent.be https://molmod.ugent.be/thesis/novel-approach-accelerate-kinetic-monte-carlo-across-time-scales#comments A novel Thermodynamic Integration scheme to derive Gibbs free energies for flexible materials https://molmod.ugent.be/thesis/novel-thermodynamic-integration-scheme-derive-gibbs-free-energies-flexible-materials <div class="field field-name-field-a1-authors field-type-taxonomy-term-reference field-label-hidden"> <span class="field-items"> K. De Witte </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-veronique-van-speybroeck" typeof="skos:Concept" property="rdfs:label skos:prefLabel" datatype="">Prof. Dr. ir. Veronique Van Speybroeck</a> </span> </div> Mon, 04 Aug 2025 10:49:43 +0000 mieke 6443 at https://molmod.ugent.be https://molmod.ugent.be/thesis/novel-thermodynamic-integration-scheme-derive-gibbs-free-energies-flexible-materials#comments Variational Monte Carlo Using Fermionic Transformers to Solve the Electronic Many-Body Problem with High Accuracy https://molmod.ugent.be/thesis/variational-monte-carlo-using-fermionic-transformers-solve-electronic-many-body-problem-high <div class="field field-name-field-a1-authors field-type-taxonomy-term-reference field-label-hidden"> <span class="field-items"> A. De Moor </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-veronique-van-speybroeck" typeof="skos:Concept" property="rdfs:label skos:prefLabel" datatype="">Prof. Dr. ir. Veronique Van Speybroeck</a> </span> </div> Mon, 04 Aug 2025 10:48:37 +0000 mieke 6442 at https://molmod.ugent.be https://molmod.ugent.be/thesis/variational-monte-carlo-using-fermionic-transformers-solve-electronic-many-body-problem-high#comments A combined density functional theory and tensor network approach to simulate strongly correlated quasi-one-dimensional materials https://molmod.ugent.be/thesis/combined-density-functional-theory-and-tensor-network-approach-simulate-strongly-correlated <div class="field field-name-field-a1-authors field-type-taxonomy-term-reference field-label-hidden"> <span class="field-items"> Q. Staelens </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="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-veronique-van-speybroeck" typeof="skos:Concept" property="rdfs:label skos:prefLabel" datatype="">Prof. Dr. ir. Veronique Van Speybroeck</a>, <a href="/promotors/prof-dr-ir-frank-verstraete" typeof="skos:Concept" property="rdfs:label skos:prefLabel" datatype="">prof. dr. ir. Frank Verstraete</a> </span> </div> Mon, 04 Aug 2025 10:26:08 +0000 mieke 6441 at https://molmod.ugent.be https://molmod.ugent.be/thesis/combined-density-functional-theory-and-tensor-network-approach-simulate-strongly-correlated#comments Crystal symmetries in tensor networks: simulating the Hubbard model on the triangular lattice https://molmod.ugent.be/thesis/crystal-symmetries-tensor-networks-simulating-hubbard-model-triangular-lattice <div class="field field-name-field-a1-authors field-type-taxonomy-term-reference field-label-hidden"> <span class="field-items"> W. Missiaen </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="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-jutho-haegeman" typeof="skos:Concept" property="rdfs:label skos:prefLabel" datatype="">prof. dr. ir. Jutho Haegeman</a>, <a href="/promotors/prof-dr-ir-veronique-van-speybroeck" typeof="skos:Concept" property="rdfs:label skos:prefLabel" datatype="">Prof. Dr. ir. Veronique Van Speybroeck</a> </span> </div> Mon, 04 Aug 2025 10:24:16 +0000 mieke 6440 at https://molmod.ugent.be https://molmod.ugent.be/thesis/crystal-symmetries-tensor-networks-simulating-hubbard-model-triangular-lattice#comments Investigating electron correlation effects via advanced many-body techniques to describe the photovoltaic properties of complex perovskites https://molmod.ugent.be/thesis/investigating-electron-correlation-effects-advanced-many-body-techniques-describe <div class="field field-name-field-a1-authors field-type-taxonomy-term-reference field-label-hidden"> <span class="field-items"> M. De Bosscher </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="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-veronique-van-speybroeck" typeof="skos:Concept" property="rdfs:label skos:prefLabel" datatype="">Prof. Dr. ir. Veronique Van Speybroeck</a>, <a href="/promotors/prof-dr-ir-frank-verstraete" typeof="skos:Concept" property="rdfs:label skos:prefLabel" datatype="">prof. dr. ir. Frank Verstraete</a> </span> </div> Mon, 04 Aug 2025 10:22:23 +0000 mieke 6439 at https://molmod.ugent.be https://molmod.ugent.be/thesis/investigating-electron-correlation-effects-advanced-many-body-techniques-describe#comments Computational Modeling of Physically Crosslinked Hydrogels for Biomedical Applications https://molmod.ugent.be/thesis/computational-modeling-physically-crosslinked-hydrogels-biomedical-applications <div class="field field-name-field-a1-authors field-type-taxonomy-term-reference field-label-hidden"> <span class="field-items"> R. D&#039;haeyer </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 Chemical Engineering</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-veronique-van-speybroeck" typeof="skos:Concept" property="rdfs:label skos:prefLabel" datatype="">Prof. Dr. ir. Veronique Van Speybroeck</a>, <a href="/promotors/prof-dr-ir-christian-stevens" typeof="skos:Concept" property="rdfs:label skos:prefLabel" datatype="">Prof. Dr. ir. Christian Stevens</a> </span> </div> Mon, 04 Aug 2025 10:19:52 +0000 mieke 6438 at https://molmod.ugent.be https://molmod.ugent.be/thesis/computational-modeling-physically-crosslinked-hydrogels-biomedical-applications#comments Clathrate hydrates to exchange energy carrier molecules for carbon dioxide https://molmod.ugent.be/thesis/clathrate-hydrates-exchange-energy-carrier-molecules-carbon-dioxide <div class="field field-name-field-a1-authors field-type-taxonomy-term-reference field-label-hidden"> <span class="field-items"> A. Cornette </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 Chemical Engineering</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-veronique-van-speybroeck" typeof="skos:Concept" property="rdfs:label skos:prefLabel" datatype="">Prof. Dr. ir. Veronique Van Speybroeck</a> </span> </div> Mon, 04 Aug 2025 10:15:24 +0000 mieke 6437 at https://molmod.ugent.be https://molmod.ugent.be/thesis/clathrate-hydrates-exchange-energy-carrier-molecules-carbon-dioxide#comments Growing new ice-like structures to capture energy carrier molecules https://molmod.ugent.be/thesis/growing-new-ice-structures-capture-energy-carrier-molecules <div class="field field-name-field-a1-authors field-type-taxonomy-term-reference field-label-hidden"> <span class="field-items"> M. Eliano </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="2024-01-01T00:00:00+01:00">2024</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-veronique-van-speybroeck" typeof="skos:Concept" property="rdfs:label skos:prefLabel" datatype="">Prof. Dr. ir. Veronique Van Speybroeck</a> </span> </div> Thu, 06 Feb 2025 10:40:37 +0000 leen 6380 at https://molmod.ugent.be https://molmod.ugent.be/thesis/growing-new-ice-structures-capture-energy-carrier-molecules#comments Implementing downfolding algorithms to perform quantum-mechanical simulations for strongly correlated functional materials https://molmod.ugent.be/thesis/implementing-downfolding-algorithms-perform-quantum-mechanical-simulations-strongly <div class="field field-name-field-a1-authors field-type-taxonomy-term-reference field-label-hidden"> <span class="field-items"> S. Ganne </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="2024-01-01T00:00:00+01:00">2024</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-veronique-van-speybroeck" typeof="skos:Concept" property="rdfs:label skos:prefLabel" datatype="">Prof. Dr. ir. Veronique Van Speybroeck</a>, <a href="/promotors/prof-frank-verstraete" typeof="skos:Concept" property="rdfs:label skos:prefLabel" datatype="">Prof. Frank Verstraete</a> </span> </div> Tue, 04 Feb 2025 13:54:16 +0000 leen 6379 at https://molmod.ugent.be https://molmod.ugent.be/thesis/implementing-downfolding-algorithms-perform-quantum-mechanical-simulations-strongly#comments