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SUMMARY:Understanding Polar Solvents through the Lens of Stochastic Densit
 y Functional Theory - Sleeba Varghere (Sorbonne Université)
DTSTART:20250911T140500Z
DTEND:20250911T141000Z
UID:TALK233335@talks.cam.ac.uk
DESCRIPTION:Understanding the polarization dynamics of polar solvents is i
 mportant in advancing research in soft matter\, electrochemistry\, and bio
 physics\, where accurate prediction of dielectric response plays a key rol
 e. In this context\, Stochastic Density Functional Theory (SDFT) has emerg
 ed as a powerful theoretical framework capable of capturing the collective
  dynamic behavior of dipolar molecules by incorporating thermal fluctuatio
 ns into the time-dependent density field. The present work evaluates the r
 eliability of SDFT in predicting the polarization dynamics of polar solven
 ts and provides key insights into integrating these effects into simulatio
 ns\, enabling more accurate and predictive modeling of the solvent polariz
 ation effects in soft-matter systems.&nbsp\;\nAbstract title: Understandin
 g polar solvents through the lens of Stochastic Density Functional Theory&
 nbsp\;\nAbstract: Understanding the microscopic behavior and organization 
 of polar solvents has direct implications for a variety of applications\, 
 from advanced battery and fuel cell design to the study of charged soft ma
 tter systems. Predicting solvent structure and dynamics from first princip
 les remains a significant challenge due to the complex interplay of therma
 l fluctuations\, electrostatic interactions\, and molecular orientation. A
 mong the available theoretical approaches\, stochastic density functional 
 theory (SDFT) has emerged as a powerful tool for exploring the collective 
 dynamical properties of polar solvents. In this work\, we examine the effe
 ctiveness of SDFT in describing a polar solvent by comparing its predictio
 ns with Brownian dynamics simulations of the Stockmayer fluid-a widely use
 d theoretical model for polar fluids. Our findings indicate that SDFT offe
 rs a promising framework for linking molecular-scale interactions to mesos
 copic behavior across a broad range of electrochemical and soft-matter sys
 tems.&nbsp\;
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