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Senior Postdoctoral Position in Molecular Modeli ... (No replies)
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An 18-month Senior postdoctoral position is available at the Theoretical and Computational Physical Chemistry Group of CNR-NANO in Pisa, Italy.
The research will primarily focus on ab initio and classical modelling of graphene, functionalized graphene, and graphene decorated with metal nanoclusters for energy storage applications (hydrogen storage, supercapacitors, batteries, etc.).
The topic falls within the Italian PRIN2022 project titled 'Chemical and Electrochemical Energy Storage Materials from Organic Wastes: The Treasure Hidden in C-Based Materials.' The project's duration is 24 months. In this project, we plan to conduct the pyrolysis of various agricultural and animal husbandry wastes (AFW and AHW) to produce biochar with a high graphene content, representing an affordable way to obtain a wide variety of 3D graphene-based/rich nanoporous scaffolds. The materials' synthesis and their experimental characterization will be closely related and guided by in-silico exploration.
The computational group at CNR-NANO, using well-established simulation protocols developed so far, has the role of generating in-silico models of these graphene-based materials with the aim of characterizing them, rationalizing the mechanisms at the atomistic level of different storage processes (e.g., adsorption, hydrogen spillover, etc.), and establishing quantitative relationships between the molecular/atomic features of the models and experimental data.
A successful candidate must demonstrate excellent skills in computational materials/chemistry theory. Expertise in first-principles density functional theory simulations and/or in classical molecular modelling and dynamics is required.
The project will be carried out in close collaboration with experimental groups. The ability to work as part of a diverse team and independently is important. Strong written and oral communication skills are essential.
Minimum Requirements for the Senior Postdoctoral Position:
-A degree in Chemical and Materials Sciences, Chemistry, Physics, or closely related fields.
-A doctoral degree with a minimum duration of three years, accompanied by at least two years of documented scientific and professional experience, including scientific publications.
Interested applicants are recommended to get in touch as soon as possible with Dr. Luca Bellucci ([email protected]) to obtain all information on the application and selection procedure.
We welcome a brief presentation of no more than 250/300 words, along with the names and email addresses of two reference persons.
https://www.nano.cnr.it/