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DTSTAMP:20260413T071517
DTSTART:20160516T113000
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URL:https://murmitoyen.com/events/vanille/udem/detail/694382-development-of
 -in-silico-ie-in-a-digital-computer-testbeds-for-the-analysis-design-and-s
 imulation-of-material-n-jorge-m-seminario-texas-am
LOCATION:Université de Montréal - Pavillon J.-Armand-Bombardier\, 5155\, 
 chemin de la rampe \, Montréal\, QC\, Canada\, H3T 2B2
SUMMARY:Development of in silico (i.e.\, in a digital computer) testbeds fo
 r the analysis\, design and simulation of material –  Jorge M. Seminario
 \, Texas A&M
DESCRIPTION:Jorge M. Seminario\, Professor of Chemical Engineering\, Profes
 sor of Electrical and Computer Engineering\, Professor of Materials Scienc
 e and Engineering\, Lannater and Herb Fox Professor\, TEXAS A&M UNIVERSITY
 \, 3122 TAMU\, College Station\, TX 77843-3122\, USA.
\nI will explain our
  efforts to integrate very precise first-principles (ab initio) quantum ch
 emistry\, atomic and molecular physics\, and solid-state methods to develo
 p precise computational tools for the analysis\, design and simulation of 
 new materials for better batteries.  Therefore\, decreasing tremendously 
 the experimental effort to target the best possible alternatives and avoid
  unneeded trial-error experimentation.  The need for better batteries goe
 s along with the need to develop and use new sources of high-power clean r
 enewable energies together with the development of micro- and nano-electro
 nics-based mobile applications.  I will focus this presentation on our ef
 fort to analyze the formation and behavior of the solid-electrolyte interp
 hase (SEI)\, which is created unintentionally between the electrolyte and 
 the anode of present lithium-ion batteries.  This SEI may have very favor
 able or unfavorable effects on the performance of the battery\; it is a ke
 y factor for the design of better batteries. 
\nSite web du groupe de Pr
  Seminario
\nCette conférence est présentée par le RQMP Versant Nord du
  Département de physique de l'Université de Montréal et le Départem
 ent de génie physique de Polytechnique Montréal.
\n 
\n 
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