CMSP Seminar (Atomistic Simulation Webinar Series): 16 February at 4:30pm, Prof. Clyde A. Daly Jr.

[CMSP Seminars Secretariat]

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Atomistic Simulation Webinar Series
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WEBINAR_

via Zoom



** * * Wednesday, 16 February 2022 at 4:30pm*** * **

Speaker:*Clyde A. Daly Jr.* (Haverford College, U.S.A.)


Title:***Modeling Complex Phenomena with Machine Learning and Molecular 
Dynamics
*

Register in advance at:
https://zoom.us/meeting/register/tJwrc-GrrTovEtFdbsZp9-GM9GPmKDYcYRup 
After registering, you will receive a confirmation email containing 
information about joining the seminar.


_Abstract_:

Many complex macroscopic phenomena have their origins in microscopic, 
molecule and atom level interactions. Using techniques like molecular 
dynamics and machine learning, connections can be made between these two 
scales of observation. In this talk, I will showcase the power of these 
techniques in four cases. First, the solvation properties of carbon 
dioxide in ionic liquids are examined using one dimensional and two 
dimensional infrared spectroscopy. Second, the structure of the hydrated 
proton is elucidated by combining molecular dynamics with infrared and 
Raman spectroscopy. Third, molecular dynamics is used to examine the 
behavior of nanoparticles when interacting with biomolecules. Fourth, 
machine learning is used to develop design rules for creating 
sustainable nanotechnologies. In my new position at Haverford College, I 
am extending these techniques to study more complex related systems.


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CMSP Seminars support:OnlineCMSP at ictp.it  

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/

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