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DTSTAMP:20260411T085328
DTSTART:20181010T110000
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URL:https://murmitoyen.com/events/vanille/udem/detail/832742-conference-de-
 chimie-avec-le-professeur-andrew-cooper-university-of-liverpool
LOCATION:Université de Montréal - Pavillon Roger-Gaudry\, 2900\, chemin d
 e la Tour\, Montréal\, QC\, Canada\, H3T 1J6
SUMMARY:Conférence de chimie avec le professeur Andrew Cooper _University 
 of Liverpool
DESCRIPTION:Conférence de chimie avec le professeur Andrew I. Cooper de 
 l’University of Liverpool
\n 
\nTitre: '' Designing function in molec
 ular crystals ‘from scratch’ using energy–structure–function maps'
 '
\n 
\nEndroit : Pavillon Roger-Gaudry\, salle S-142 
\n 
\nHeure : 1
 1:00 AM
\n 
\nHôte : Professeur Jim Wuest
\n 
\nRésumé : 
\nPorous 
 molecular crystals are an alternative to porous extended frameworks such a
 s zeolites\, metal-organic frameworks (MOFs)\, covalent organic frameworks
  (COFs)\, and polymer networks.1 Interest in such systems predates MOFs\, 
 tracing back to Barrer’s first ‘organic zeolites’\,2 but only recent
 ly have molecular crystals started to show physical properties that are co
 mpetitive with extended\, bonded frameworks.3
\nHowever\, molecular crysta
 ls—porous or otherwise—pose problems in terms of the purposeful design
  of function.4 This is because the energy landscape for molecular crystals
  is typically not dominated by a single intermolecular interaction\, unlik
 e bonded crystalline frameworks. Hence\, molecular crystal engineering has
  so far failed to become the “new organic synthesis” that was envisage
 d\,5 and extended\, bonded frameworks have recently dominated the scene. T
 hey do not follow the isoreticular scheme that defines the strategy for MO
 Fs and COFs.6
\nThis lecture will discuss the design and synthesis of new 
 functional organic crystals using computationally-led approaches.7 In part
 icular\, we will discuss a new approach for designing function in molecula
 r crystals\, based on knowledge of the building blocks alone\, by construc
 ting “energy–structure–function maps”.8\,9 I will show that this d
 esign strategy works for both known molecules10 and for hypothetical molec
 ules that have not yet been made in the laboratory.8 I will also outline o
 ur future vision for the direct integration of materials properties predic
 tions with mobile laboratory robots\, thus allowing the semi-autonomous di
 scovery of new materials with properties that would be hard to access by m
 ore conventional methods.
\nInformations supplémentaires
\n 
\nAnnonce P
 DF de la conférence
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