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SUMMARY:IMX Seminar Series - Molecular Scale Modelling of Mineral Hydratio
 n: Application to cement
DTSTART:20200217T131500
DTEND:20200217T141500
DTSTAMP:20260504T065345Z
UID:7d8d69689e5dbb9045eb6258e4e397e00af824fdad57388436bf521a
CATEGORIES:Conferences - Seminars
DESCRIPTION:Prof. Hegoi Manzano\, University of the Basque Country UPV/EHU
 \, Spain\nCement is an irreplaceable material. Nowadays\, no other materia
 l can match it in terms of performance to price ratio\, and unlike in othe
 r fields like electronics\, photonics\, biomaterials\, etc\, there is no a
 pparent alternative to it. But cement manufacturing is a pollutant process
 \, and its production keeps growing. One of the key strategies to reduce
  its environmental impact is to improve the performance of the final produ
 ct\, the cement paste\, by a fine control of its structure development dur
 ing cement hydration. Unfortunately\, cement hydration is a complex proces
 s with many coupled chemical reactions and physicochemical changes\, diffi
 cult to control. The empirical optimization of cement hydration is reachin
 g its limits\, and basic deep understanding of the molecular scale aspects
  governing cement dissolution are needed. In this talk I will present tro
 ugh examples how atomic scale simulations can contribute to the understand
 ing of cement dissolution. I will show results from three different meth
 odologies: DFT\, Empirical force fields\, and KMC\, stressing how necessar
 y is a real multi-scale approach to obtain meaningful results.\nBio: PhD i
 n Chemistry in 2009 (UPV/EHU)\, postdoctoral researcher at MIT (2010-2011)
  and at the UPV/EHU (2012-2014). Since 2015\, Assistant Professor at the 
 Department of Condensed Matter Physics of the University of the Basque Cou
 ntry\, UPV/EHU. His research aims to understand and model the relationshi
 ps between molecular scale structure and macroscopic properties in a wide 
 range of systems\, with a special focus on cement as a sustainable constr
 uction material. He uses different molecular simulation methods to tackle 
 each problem from the most appropriate point of view\, from density fun
 ctional theory\, to (kinetic) monte carlo\, but mainly advanced molecular 
 dynamics with empirical potentials. On the academic side\, he teaches Sta
 tistical Thermodynamics and Experimental Techniques I in the Physics Grad 
 of the UPV/EHU\, as well as supervise student research projects at every 
 level (undergrad\, master\, and PhD).
LOCATION:MXF 1 https://plan.epfl.ch/?room==MXF%201
STATUS:CONFIRMED
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