CMSP Seminar (Atomistic Simulation Webinar Series): Wednesday 10 March 2021 at 11 a.m.

[CMSP Seminars Secretariat]

Virtual - Zoom Meeting

*CMSP Atomistic Simulation Webinar Series*
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* * **Wednesday, 10 March 2021 at 11:00 a.m.** * *

Speaker: *Franci MERZEL*(Lab. for Molecular Structural Dynamics, Theory 
Department, National Institute of Chemistry, Ljubljana, Slovenia)

Title: *Water hydrogen bonding around small hydrophobic solutes
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Register in advance at:
https://zoom.us/meeting/register/tJcvc-GrrjkqG9WLV0wTSWr4K3snPE52VeAS

After registering, you will receive a confirmation email containing 
information about joining the seminar.


Abstract:
It is well known that molecular solutes have a strong influence on the 
structural and dynamic properties of the surrounding water. In our 
recent study, we identified the presence of enhanced water-hydrogen 
bonding in the vicinity of hydrophobic solutes using both IR 
spectroscopy and ab-initio molecular dynamics simulations. The water 
molecules involved in the strengthened hydrogen bonds were shown to 
exhibit extensive structural ordering and restricted mobility. We 
observed that a single pair of water molecules can form stronger 
hydrogen bonds with each other when not surrounded by intercalating 
water molecules. In this talk, we present simulation results that reveal 
a simple mechanistic picture of the hydrogen bond strengthening around 
small hydrophobic solutes.



CMSP, Condensed Matter & Statistical Physics Section
http://www.ictp.it/research/cmsp.aspx

The Abdus Salam International Centre for Theoretical Physics
https://www.ictp.it/  <https://www.ictp.it/>

    
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