Physics Research Seminar: Olga López Acevedo (Universidad de Antioquia, Colombia)
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Unfortunately this seminar has to be cancelled.
Welcome to join us for a research seminar by Prof. Olga López Acevedo from Universidad de Antioquia, Colombia!
Host: Patrick Rinke/Computational Electronic Structure Theory group
Title: Materials insight with computational physics
Abstract:
Computational Physics is sometimes classified as a subdiscipline of theoretical physics, other times as a support tool for experimental physics. Its status is perhaps best described as an intersectional discipline of Physics and Computer Science. From this intersection he derives his capacity and versatility, because he often crosses the boundaries between scientific disciplines and asks about efficiency and resources for solving problems. At the seminar I am going to present recent results obtained at the University of Antioquia on computational physics problems related to the assessing ab-initio stability and materials in the fight against malaria disease [1,2,3].
[1] Ab initio metadynamics determination of temperature-dependent free-energy landscape in ultrasmall silver clusters, D Sucerquia, C Parra, P Cossio, O Lopez-Acevedo, The Journal of Chemical Physics 156 (15)
[2] Active learning of Boltzmann samplers and potential energies with quantum mechanical accuracy, A Molina-Taborda, P Cossio, O Lopez-Acevedo, M Gabrié arXiv preprint arXiv:2401.16487
[3] Revising the Formation of β-Hematin Crystals from Hemin in Aqueous-Acetate Medium Containing Chloroquine: Modeling the Kinetics of Crystallization and Characterizing Their Physicochemical Properties, J Herrera, C Parra, DC Cardona, V Perez, J Zapata et al Crystal Growth & Design, 2023