CMSP Seminar (Atomistic Simulation Seminar Series) 3 March, 11:00AM, Gonzalo Díaz Mirón

[CMSP Seminars Secretariat]

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CMSP Seminar (Atomistic Simulation Seminar Series)
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*Friday, 3 March 2023, 11:00a.m. CET *
*IN PERSON: Luigi Stasi Seminar Room (Leonardo Building second floor)*/
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/Zoom registration link: 
/https://zoom.us/meeting/register/tJMlcO-orj0qGNBxv53hztxBm-sBskQ5hHgy

Speaker: *Gonzalo Díaz Mirón* (ICTP)

Title: *Excited states properties and non adiabatic molecular dynamics 
in biological systems**
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Abstract:
Understanding the molecular excited states properties of biological 
systems is a matter of enormous relevance. Phenomena such as 
photosynthesis or DNA damage by UV radiation are just a couple of 
examples. The simulation of these processes require techniques beyond 
Born-Oppenheimer Approximation, called Non-Adiabatic molecular dynamics 
(NAMD). In this seminar I will show how to calculate absorption, 
fluorescence spectra and quantum yields in biological systems. In 
addition, I will also explain the Trajectory Surface Hopping algorithm, 
which is one of the most popular techniques in NAMD and also I will 
discuss its application to a new phenomena called Non Aromatic 
Fluorescence (NAF).


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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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