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VERSION:2.0
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CALSCALE:GREGORIAN
X-WR-CALNAME:Khowshik Dey to Present Engineering Master's Research
X-WR-TIMEZONE:Eastern Time (US & Canada)
BEGIN:VEVENT
DTSTAMP:20260609T000325Z
UID:tag:localist.com\,2008:EventInstance_53044824266445
DTSTART:20260609T130000Z
DTEND:20260609T140000Z
DESCRIPTION:The UTC Graduate School is pleased to announce that Khowshik De
 y will present Master's research titled\, MOLECULAR MODELING OF WATER AND 
 AQUEOUS ELECTROLYTES UNDER ELECTRIC FIELDS: THERMAL\, DIELECTRIC\, AND TRA
 NSPORT PROPERTIES on 06/09/2026 at 9:00AM in CECS EMCS Building\, room 415
 D. Everyone is invited to attend. \n\nEngineering\n\nChair: Murat Barisik\
 n\nAbstract:\n\nWater plays a critical role in thermal transport\, electro
 chemical energy storage\, and electrically driven interfacial phenomena. A
 ccurately capturing its coupled thermo-electrical behavior remains a major
  challenge in molecular dynamics simulations. This study combines machine 
 learning\, and molecular dynamics simulations to provide a physics-informe
 d computational study of wa-ter and aqueous electrolyte systems. To increa
 se the predictive accuracy of the TIP4P water model\, a machine learning-g
 uided reparameterization framework has been developed. This led to the enh
 anced TIP4P model named TIP4P/XAIe\, which shows better concordance with e
 xperimental thermal and dielectric properties of pure water. Using this de
 veloped model along with other conventional water models\, the electro-the
 rmal behavior of water under external electric fields has been investigate
 d further. The results showed dielectric saturation\, decreased molecular 
 mobility\, field-induced structure ordering\, and electro-freezing phenome
 na. A concentration-driven shift from field-responsive transport to struct
 urally arrested dynamics dominated by ion pairing and dielectric suppressi
 on has been explored using this model as a solvent in nonequilibrium MD si
 mulations of NaCl and NaClO4 electrolytes. Altogether\, this work offers m
 olecular-level understanding of electro-thermal transport phenomena and cr
 eates a cohesive foundation for modeling water and electrolyte for electro
 chemical and energy-related applications.
GEO:39.104318;-84.513955
LOCATION:Engineering & Computer Science Building\, 415D
SUMMARY:Khowshik Dey to Present Engineering Master's Research
URL;VALUE=URI:https://calendar.utc.edu/event/Khowshik-Dey-to-present-engine
 ering-masters-research
CATEGORIES:Lectures & Presentations
END:VEVENT
END:VCALENDAR