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DTSTART;TZID=America/Chicago:20261209T150000
DTEND;TZID=America/Chicago:20261209T160000
DTSTAMP:20261115T023733Z
SUMMARY:Northwestern Chemistry Special Seminar: Joonho Lee (Harvard University)
UID:648640@northwestern.edu
TZID:America/Chicago
DESCRIPTION:Northwestern Chemistry welcomes Joonho Lee from Harvard University\, hosted by Roel Tempelaar.  Condensed-Phase Quantum Chemistry: From Correlated Electrons to Polarons  Predicting the properties of condensed-phase materials from first principles requires accurate treatments of electron–electron and electron–phonon interactions. In this talk\, I will present our group’s progress in developing and solving materials-specific many-body Hamiltonians for complex solids. In the first half\, I will discuss our recent advances in auxiliary-field quantum Monte Carlo (AFQMC) for ab initio ground-state calculations of solids. I will show that we can now converge calculations for simple solids toward both the thermodynamic and complete-basis-set limits\, laying the groundwork for predictive simulations of more complex materials. In the second half\, I will turn to materials with strong electron–phonon interactions\, where electrons become dressed by lattice distortions to form quasiparticles known as polarons. I will discuss our recent progress in describing the ground-state properties and dynamics of polarons from first principles and highlight emerging opportunities for understanding their behavior in realistic materials.
LOCATION:Ryan Hall\, Ryan 4003\, 2190 Campus Drive\, Evanston\, IL 60208
TRANSP:OPAQUE
URL:https://planitpurple.northwestern.edu/event/648640
CREATED:20261111T060000Z
STATUS:CONFIRMED
LAST-MODIFIED:20261111T060000Z
PRIORITY:0
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DESCRIPTION:Reminder
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