BEGIN:VCALENDAR VERSION:2.0 PRODID:-//wp-events-plugin.com//7.2.1//EN TZID:Europe/Paris X-WR-TIMEZONE:Europe/Paris BEGIN:VEVENT UID:118@iem.umontpellier.fr DTSTART;TZID=Europe/Paris:20240708T110000 DTEND;TZID=Europe/Paris:20240708T120000 DTSTAMP:20240703T125254Z URL:https://iem.umontpellier.fr/events/conference-de-yan-jiao-8-7-2024/ SUMMARY:Conférence de Yan JIAO - 8/7/2024 DESCRIPTION:Prof. Yan JIAO\nUniversity of Adelaide\, Australia\nlundi 8 jui llet 2024 à 11:00\, salle de conférence\n\nMolecular Modelling of Electr ocatalyst Materials for Clean Energy Conversion\n \;\n\nAbstract\nThe goal of achieving zero-carbon emissions by 2050 has driven the search for alternative solutions that can replace the traditional fossil fuel-based e conomy. With the technology and infrastructure in place to produce clean e lectricity from renewable sources such as solar or wind\, the ability to g enerate it on a large scale is rapidly increasing. This presents a prime o pportunity to produce carbon-free fuels and chemicals (for example\, hydr ogen) by electrocatalysis. The electrocatalysis method enables the convers ion of green electricity into chemicals and fuels\, and vice versa\, provi ding a path towards a sustainable future.\n\nOne of the key challenges in electrocatalytic energy conversion reactions is the performance of the cat alyst material. The need for electrocatalysts with high activity and selec tivity is critical. Molecular modelling can play a significant role in des igning these materials\, especially when combined with experimental techni ques. By gaining an in-depth understanding of electrochemical reactions th rough molecular modelling\, we can propose new materials for various react ions. My presentation will briefly touch on how we have done this in the p ast and the challenges ahead. I will share my thoughts on how computationa l electrocatalysis will evolve in the future and the shift towards "Operan do" modelling\, and how machine learning might assist the progress. Additi onally\, I will present some of our recent works using machine learning to design materials that might have not existed before\, and Operando modell ing to uncover the potential and pH-dependent reaction mechanisms for elec trochemical energy conversion reactions\, and how that might aid us in des igning better materials and reaction environments.\n\nBiography\nProfessor Yan Jiao obtained her PhD in Chemical Engineering from the University of Queensland in 2012. Since graduation\, she has been working at University of Adelaide's School of Chemical Engineering. Yan is an ARC Future Fellow\ , a Young Tall Poppy\, a Highly cited researcher\, and one of 40 Rising St ars by The Australian.\n\nYan’s passion is to co-create a more sustaina ble world\, using her expertise in molecular modelling and interdisciplina ry collaboration spirit. Yan's expertise is the use of computational techn iques for the design of clean and sustainable energy conversion materials. She has published more than 100 articles in leading journals such as Nat . Energy\, Nat. ChemEng\, Nat. Commun.\, J. Am. Chem. Soc.\, Angew. Ch emie Int. Ed.\, and more. Her published works have received over 37\,000 c itations and with a h-index of 71. Yan has secured over one million Austra lian dollars in research funding as the Lead Chief Investigator. She is al so a Chief Investigator and Program Leader for ARC Centre of Excellence fo r Carbon Science and Innovation.\n\n \; ATTACH;FMTTYPE=image/jpeg:https://iem.umontpellier.fr/wp-content/uploads/2 024/07/YanJIAO.jpeg CATEGORIES:Conférence END:VEVENT BEGIN:VTIMEZONE TZID:Europe/Paris X-LIC-LOCATION:Europe/Paris BEGIN:DAYLIGHT DTSTART:20240331T030000 TZOFFSETFROM:+0100 TZOFFSETTO:+0200 TZNAME:CEST END:DAYLIGHT END:VTIMEZONE END:VCALENDAR