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UID:20260531T050326EDT-8293F4VAR2@132.216.98.100
DTSTAMP:20260531T090326Z
DESCRIPTION:Abstract:\n\nThis presentation will illustrate some of our rece
 nt computational studies in photophysics and photochemistry\, focusing on 
 two topics: (1) molecules showing aggregation induced emission (AIE)\, whe
 re we will introduce a restricted access to a conical intersection (RACI) 
 model to explain photophysics in solution and discuss the importance of th
 rough-space interactions in modulating the emission\; (2) melanin and its 
 components\, where we follow two threads: the study of some key components
  in collaboration with the groups of J. P. Lumb (McGill) and B. Kohler (Oh
 io State)\, and the generation of theoretical models with a library-based 
 approach and a kinetic melanization model.\n\n \n\nBio:\n\nLluís Blancafor
 t is a Professor of Chemistry at the University of Girona in Spain since 2
 007. He graduated in Chemical Engineering in 1991 at the Institut Químic d
 e Sarrià (Barcelona) and took his PhD in 1996at the University of Würzburg
  (Germany)\, under the supervision of Waldemar Adam\, working on the chemi
 stry of alpha-peroxylactones. Between 1997 and 2002 he was a post-doctoral
  researcher at the group of Michael Robb at King's College London (UK) wor
 king on excited state computational chemistry. In 2002 he joined the Unive
 rsity of Girona as a Ramón y Cajal fellow and became professor in 2007. He
  is a computational chemist whose main interest is the photophysics and ph
 otochemistry of systems of biological and technological relevance\, focusi
 ng on the mechanistic role of conical intersections. The group's interests
  span both the molecular level and larger systems including photocatalysis
  on surfaces\, aggregation induced emission and melanin as a biomaterial. 
 The group's expertise covers different areas of computational chemistry in
 cluding quantum chemical methods\, ab initio and molecular mechanics based
  dynamics\, and machine learning.\n
DTSTART:20240416T170000Z
DTEND:20240416T183000Z
LOCATION:OM 10\, Maass Chemistry Building\, CA\, QC\, Montreal\, H3A 0B8\, 
 801 rue Sherbrooke Ouest
SUMMARY:Chemical Society Seminar: Lluis Blancafort -Computational studies o
 f excited states - from conical intersections to smart biomaterials
URL:https://www.mcgill.ca/chemistry/channels/event/chemical-society-seminar
 -lluis-blancafort-computational-studies-excited-states-conical-intersectio
 ns-356665
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