Center for Molecular Modeling - R. Bohy https://molmod.ugent.be/publication-authors/r-bohy en 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 Transport Properties, Correlation Times, and Uncertainties in Molecular Dynamics Simulations with the STable AutoCorrelation Integral Estimator Applied to Squalane https://molmod.ugent.be/c1_c3_publications/transport-properties-correlation-times-and-uncertainties-molecular-dynamics <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">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-range"><span class="date-display-start" property="dc:date" datatype="xsd:dateTime" content="2026-01-05T00:00:00+01:00">Monday, 5 January, 2026</span> to <span class="date-display-end" property="dc:date" datatype="xsd:dateTime" content="2026-01-16T00:00:00+01:00">Friday, 16 January, 2026</span></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/molsim-2026-0" typeof="skos:Concept" property="rdfs:label skos:prefLabel" datatype="">MolSim 2026</a> </span> </div> Thu, 22 Jan 2026 11:04:37 +0000 toon 6525 at https://molmod.ugent.be https://molmod.ugent.be/c1_c3_publications/transport-properties-correlation-times-and-uncertainties-molecular-dynamics#comments Robbe Bohy https://molmod.ugent.be/members/robbe-bohy Tue, 30 Sep 2025 13:14:08 +0000 mieke 6477 at https://molmod.ugent.be https://molmod.ugent.be/members/robbe-bohy#comments