Calculation of drag reduction in graphene through neural-network molecular dynamics simulations

Updated: about 1 month ago
Deadline: 26 Apr 2024

27 Mar 2024
Job Information
Organisation/Company

Università degli Studi di Trieste
Department

HR - Academic Staff
Research Field

Physics » Other
Researcher Profile

First Stage Researcher (R1)
Recognised Researcher (R2)
Established Researcher (R3)
Country

Italy
Application Deadline

26 Apr 2024 - 23:59 (Europe/Rome)
Type of Contract

Other
Job Status

Not Applicable
Is the job funded through the EU Research Framework Programme?

Not funded by an EU programme
Reference Number

24ar376-1HPC
Is the Job related to staff position within a Research Infrastructure?

No

Offer Description

The researcher will study drag reduction in graphene with a combination of electronic structure methods and large-scale atomistic molecular dynamics (MD) powered by machine learning and high-performance computing (HPC). The first part of the project involves the development of neural-network interatomic potentials for graphene on metallic substrates under air gasses, including the training on density-functional theory (DFT) calculations. The second part involves large-scale MD simulations targeting the comprehensive understanding of the microscopic flow characteristics near graphene surfaces and the impact of surface microstructure on slip.

The position requires robust and documented expertise in the use of electronic-structure simulation software for DFT simulations (e.g. Quantum ESPRESSO) and/or MD (e.g. LAMMPS).


Requirements
Research Field
Physics » Other
Education Level
Master Degree or equivalent

Additional Information
Website for additional job details

https://web.units.it/concorsi/ricerca/conc-51340

Work Location(s)
Number of offers available
1
Company/Institute
University of Trieste
Country
Italy
City
Trieste
Geofield


Where to apply
Website

https://pica.cineca.it/units

Contact
City

Trieste
Website

https://www.units.it/ateneo/bandi
Street

Piazzale Europa 1
Postal Code

34127

STATUS: EXPIRED

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