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UID:1032005b-6141-491e-93d5-d47b4eef5c6f
DTSTAMP:20261028T122442Z
SUMMARY:Development of Computational Frameworks for Novel Catalyst Material
 s and Chemical Process Flowsheet Design
DESCRIPTION:<p style="text-align: justify\;"><strong>Nanoseminar in&nbsp\;C
 hemistry and Materials</strong></p>\n<p style="text-align: justify\;"><str
 ong>IN PERSON&nbsp\;EVENT -</strong><strong>&nbsp\;ENTER&nbsp\;<a href="ht
 tps://forms.office.com/e/mhTpGv4Eg4">HERE</a></strong><a href="https://for
 ms.office.com/e/mhTpGv4Eg4">&nbsp\;</a>to attend.</p>\n<p style="text-alig
 n: justify\;">By <strong>Dr. L. Ricardez-Sandoval—</strong>Department&nb
 sp\;of Chemical Engineering at the University of Waterloo\,&nbsp\;Ontario\
 , Canada.</p>\n<p style="text-align: justify\;"><strong>Abstract</strong>:
  This talk will present the recent efforts made by our group to innovate t
 he fields of catalyst design for CO<sub>2</sub> conversion and chemical pr
 ocess flowsheet design using advanced active learning methods. In the firs
 t part of the talk\, potential catalysts for CO<sub>2</sub> conversion usi
 ng CeO<sub>2</sub>-based materials for Reverse Water Gas Shift (RWGS) reac
 tion will be presented. Our study combines experimental tests\, density fu
 nctional theory (DFT) calculations and active learning methods to discover
  new insights and avenues for catalysis development. The second part of th
 e talk will present a novel reinforcement learning framework to perform ch
 emical process flowsheet design that does not require the a priori specifi
 cation of a superstructure/flowsheet thus promoting exploration and potent
 ial discovery of new chemical flowsheets. A case study that links our fram
 ework with Aspen Plus will be presented to demonstrate the potential of ou
 r RL strategy as a promising tool to find new chemical process flowsheets.
 </p>\n<p style="text-align: justify\;"><strong>Short Bio:&nbsp\;</strong><
 /p>\n<p style="text-align: justify\;">Dr. L. Ricardez-Sandoval is a Profes
 sor in the Department of Chemical Engineering at the University of Waterlo
 o (UW). Dr. Ricardez-Sandoval holds a Canada Research Chair (Tier II) in M
 ultiscale Modelling and Process Systems and leads the development of metho
 ds for optimal design and operations management under uncertainty\, the de
 velopment of novel CO2 capture and conversion technologies aimed at reduci
 ng the carbon footprint\, and computer-aided design of novel catalyst mate
 rials. Dr. Ricardez-Sandoval has published more than 235 journal articles\
 , 80 full-length peer-reviewed conference papers\, 5 book chapters and 1 b
 ook. Dr. Ricardez-Sandoval (h-index: 51) has 15 publications that each hav
 e been cited more than 100 times and has published numerous publications o
 n optimal process integration\, modelling and optimization of conventional
  and emerging CO2 capture technologies\, atomistic and molecular design of
  novel catalyst materials for CO2 conversion\, chemical looping combustion
  (CLC) technologies\, and the implementation of machine learning (ML) meth
 ods for the optimal design and manufacture of nano-scale and macro-scale s
 ystems and materials. Dr. Ricardez-Sandoval‘s novel contributions in opt
 imal process integration\, multiscale modelling\, process systems and CO2 
 capture and conversion technologies have been widely recognized by deliver
 ing multiple plenary and keynote talks at international conferences\, lead
 ing the organization of top-tier conferences (e.g. International Program C
 hair: 2022 DYCOPS-CAB IFAC Symposium) and receiving multiple research-rela
 ted awards\, e.g.\, the 2024 D.G. Fisher Award sponsored by the Chemical I
 nstitute of Canada (CIC)\, the NSERC Discovery Accelerator Supplement (201
 7)\, and Ontario’s Early Researchers Award (2015). Dr. Ricardez-Sandoval
  serves as editor for Computers &amp\; Chemical Engineering\, Digital Chem
 ical Engineering and the Canadian Journal of Chemical Engineering. More in
 formation about Dr. Ricardez-Sandoval’s research activities can be found
  at the following links:</p>\n<p><a href="https://www.linkedin.com/in/luis
 -ricardez-sandoval-182b72298/">https://www.linkedin.com/in/luis-ricardez-s
 andoval-182b72298/</a></p>\n<p style="text-align: justify\;"><strong><a hr
 ef="https://uwaterloo.ca/chemical-process-optimization-multiscale-modellin
 g-process-systems/">https://uwaterloo.ca/chemical-process-optimization-mul
 tiscale-modelling-process-systems/</a>&nbsp\;</strong></p>\n<p style="text
 -align: justify\;"><strong>Introductory Talk</strong> by <strong>Francisco
  A. Molina</strong>\,&nbsp\;Junior Machine Learning Engineer at AI Platfor
 m@ICN2—<strong>Automating&nbsp\;image analysis to accelerate research</s
 trong></p>\n<p style="text-align: justify\;">&nbsp\;</p>\n<p style="text-a
 lign: justify\;">Hosted by&nbsp\;<strong>Andrés Henao—</strong>Artifici
 al&nbsp\;Intelligence Platform\,&nbsp\;Machine Learning Engineer&nbsp\;at 
 ICN2&nbsp\;</p>
DTSTART:20251020T130000
DTEND:20251020T215959
LOCATION:ICN2 Seminar Room\, Campus UAB
CATEGORIES:NanoSeminars
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