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DTSTART:20070311T020000
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DTSTAMP:20260928T135705
DTSTART;TZID=America/Detroit:20261006T160000
DTEND;TZID=America/Detroit:20261006T173000
SUMMARY:Workshop / Seminar:Accelerating Computational Molecular Design for the f-Elements
DESCRIPTION:The f-elements\, including lanthanides and actinides\, play critical roles in energy technologies\, medicine\, and emerging quantum computing applications\, yet remain comparatively under-explored in computational chemistry compared to main block elements. This seminar will introduce Architector\, a software package released in 2023 that enables the generation of molecular structures across the periodic table\, with particular capabilities for f-element coordination complexes. Applications range from generating datasets for machine-learned interatomic potentials to investigating specific chemical systems. Examples in rare-earth extraction and medical isotope chelation will illustrate how these capabilities can accelerate computational molecular design and address challenges in f-element chemistry.
UID:152996-21914878@events.umich.edu
URL:https://events.umich.edu/event/152996
CLASS:PUBLIC
STATUS:CONFIRMED
CATEGORIES:Chemistry
LOCATION:Chemistry Dow Lab - CHEM 1640
CONTACT:
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