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BEGIN:VEVENT

CATEGORIES:Natural Sciences
CATEGORIES:Lectures/Conferences
CATEGORIES:Utilities
CATEGORIES:Lecture/Talk
CATEGORIES:Research
CATEGORIES:Main
CONTACT;X-BEDEWORK-UID=8a00048d-91324965-0191-a3b9f64b-0000517b:Grissom\, 
 Brisa
CREATED:20250910T141826Z
DESCRIPTION:The Department of Chemistry is excited to host Professor Sijia
  Dong (Northeastern University) on Tuesday\, October 28\, 2025 for a depa
 rtmental seminar. \n\nPhotoenzymes are emerging protein-based photocataly
 sts that are repurposed from natural enzymes for non-natural reactions di
 fficult for small-molecule catalysts. They exhibit extraordinary selectiv
 ity\, scalability\, and tunability\, and offer a promising new toolbox fo
 r solar to chemical energy conversion and chemical synthesis. However\, t
 he understanding and design of photoenzymes pose several challenges. Firs
 t\, accurate first-principles simulations of the electronic structure of 
 macromolecules are usually computationally expensive\, especially those t
 hat involve strong electron correlation. In this talk\, I will discuss ou
 r computational strategies\, including data-driven methods and quantum co
 mputing\, particularly quantum annealing\, to tackle this challenge. Seco
 nd\, existing enzyme design strategies do not consider electronic excited
  states\, and photoenzyme engineering has mainly relied on directed evolu
 tion. I will discuss our work on physics-informed computational photoenzy
 me design\, where we combine physics-based simulations and data-driven me
 thods to demonstrate that microenvironment tuning is a promising design s
 trategy for photoenzymes and other macromolecular photocatalysts. \n\nTo 
 learn more about Prof. Sijia Dong (Northeastern University) research\, pl
 ease visit: https://cos.northeastern.edu/people/sijia-dong/\n\nSeminar ho
 sted by Prof. David Beratan
DURATION:PT1H
DTSTAMP:20251007T173250Z
DTSTART;TZID=America/New_York:20251028T114000
LAST-MODIFIED:20251007T173250Z
LOCATION;X-BEDEWORK-UID=18832edc-1b27e154-011b-28282e22-00000037:French Fa
 mily Science Center 2237
STATUS:CONFIRMED
SUMMARY:Chemistry Seminar Presented by Professor Sijia Dong (Northeastern 
 University)Computational Strategies for Photoenzyme Design: Physics-Based
  Simulations\, Data-Driven Approaches\, and Quantum Computing
UID:CAL-8a00ec8b-979413b9-0199-33fdfba9-00001d71demobedework@mysite.edu
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X-BEDEWORK-SPEAKER:Professor Sijia Dong (Northeastern University)
X-BEDEWORK-DUKE-SERIES:Chemistry Seminar Series
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X-BEDEWORK-IMAGE-ALT-TEXT:SD
X-BEDEWORK-SUBMITTEDBY:bsg25 for Chemistry (agrp_ArtsandSciences_Chemistry
 )
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END:VEVENT
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