CMSP Seminar (Atomistic Simulation Seminar Series) 15 June, 14:30hrs, Verónica Muriel Sánchez

[CMSP Seminars Secretariat]

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CMSP Seminar (Atomistic Simulation Seminar Series)
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*Thursday, 15 June 2023, 14:30 hrs*

*IN PERSON: /Luigi Stasi Seminar Room (Leonardo Building, second floor)/*/
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/Zoom registration link: 
https://zoom.us/meeting/register/tJwvcOygrDksHNU9d82j6uY5IYCDsCNWl4f_
/

Speakers: *Verónica Muriel Sánchez* (University of Buenos Aires)

Title: *Atomistic simulations of physicochemical processes of industrial 
interest*

Abstract:

Atomistic simulations of materials can be used to understand 
physicochemical phenomena relevant to industry: by studying their 
surface or, in the case of nanoporous materials, by studying their 
nanopores. In particular, by means of molecular dynamics we are 
analyzing the effect of nanoporosities present in carbon materials in 
the separation of gas mixtures and in methane extraction, which are 
relevant for membrane design and for the oil industry, respectively. On 
the other hand, we have recently started to study the reactivity of 
Fe3O4-based nanomaterials by means of Density Functional Theory 
simulations. These materials have the ability to mimic the reactivity of 
peroxidase-like enzymes and are proposed to be used in the industry for 
environmental remediation, among other purposes.

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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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