Postdoctoral researcher (ALCOAT) - First principles studies of the protection of steel against corrosion using scrap aluminium

18 Mar 2024
Job Information

Organisation/Company

Institut Català de Nanociència i Nanotecnologia

Research Field

Chemistry
Physics
Other

Researcher Profile

Recognised Researcher (R2)

Country

Spain

Application Deadline

18 Apr 2024 - 00:00 (Europe/Madrid)

Type of Contract

Temporary

Job Status

Full-time

Hours Per Week

37,5

Offer Starting Date

1 May 2024

Is the job funded through the EU Research Framework Programme?

Not funded by an EU programme

Is the Job related to staff position within a Research Infrastructure?

No

Offer Description

Research area or group: Theory and Simulation Group

 

Description of Group/Project: The Theory and Simulation Group has broad experience in developing electronic structure methods and their application to perform atomistic simulations of molecules and materials. These include (but are not restricted to) SIESTA (www.siesta-project.org ) and its TranSIESTA functionality. SIESTA is a multi-purpose first-principles method and program based on Density Functional Theory, which can describe the atomic and electronic properties of systems with up to several thousands of atoms. TranSIESTA is an extension of SIESTA that enables the study of electronic transport phenomena in nanoscale devices.

 

The ALCOAT project proposes using scrap aluminum to protect steel from corroding. The project has a two-fold objective: to propose quaternary alloys with superior anti-corrosive performance while promoting circularity. In collaboration with several experimental and theoretical partners across Europe, the role of ICN2 is to provide atomistic insights into the alloy compositions (containing Fe, Zn, Bi, among others) that maximize the anti-corrosive performance, which perfectly suits SIESTA code capabilities as it can handle thousands of atoms efficiently with ab initio predictability.

 

The work will be carried out at the Theory and Simulation Group at ICN2.

 

Main Tasks and responsibilities:

 

 - To run ab initio simulations to predict alloy compositions that maximize anti-corrosive performance.

 

- To propose models for simulating different alloy phases and interfaces.

 

- To apply the hybrid QM/MM + NEGF method to consider solvent and voltage effects on the simulations.

 

- Preparation of scientific reports and journal articles.

 

- Contribution to other activities in the group.                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                     

Requirements

Research Field

Chemistry

Education Level

PhD or equivalent

Research Field

Physics

Education Level

PhD or equivalent

Research Field

Other

Education Level

PhD or equivalent

Specific Requirements

• Education:

PhD in Physics, Materials Science, Chemistry, Computer Science, or related disciplines.

 

• Knowledge and Professional Experience:

Knowledge of programming languages used in data analysis (particularly Fortran and/or python) will be valued but it is not essential.

High Performance Computing.

Experience with High Throughput Calculations will be valued but it is not essential.

Previous experience with SIESTA is essential.  Knowledge of SIESTA's QM/MM and TranSIESTA modules (or similar methods from other codes) will be valued, but it is not essential.

Previous experience with SIESTA, including its QM/MM and TranSIESTA modules, is essential.

Other research experience will be considered.

 

• Personal Competences:

Strong commitment; attention to detail; demonstrated ability to work with deadlines and manage conflicting priorities; excellent communication skills; ability to work with highly qualified professionals with international backgrounds.

Languages

ENGLISH

Level

Excellent

Internal Application form(s) needed
Call_Research Assistant ALCOAT v.2.pdf
English
(146.33 KB - PDF)
Download
Additional Information
Benefits

Summary of conditions:

 

• Full time work (37,5h/week)
• Contract Length: Temporary
• Location: Bellaterra (Barcelona)
• Salary will depend on qualifications and demonstrated experience.
• Support to the relocation issues.
• Life Insurance.

Estimated Incorporation date: as soon as possible

Selection process

How to apply:

All applications must be made via the ICN2 website https://jobs.icn2.cat/job-openings/610/postdoctoral-researcher-alcoat-first-principles-studies-of-the-protection-of-steel-against-corrosion-using-scrap-aluminium and include the following:

A cover letter.

A full CV including contact details.

2 Reference letters or referee contacts.

Deadline for applications: 19/04/2024

Additional comments

Equal opportunities:

ICN2 is an equal opportunity employer committed to diversity and inclusion of people with disabilities.

ICN2 is following the procedure for contract of people with disabilities according with article 59 of the Royal Decree 1/2015, of 30 of October.

Website for additional job details

https://jobs.icn2.cat/job-openings/610/postdoctoral-researcher-alcoat-first-pri…

Work Location(s)

Number of offers available

1

Company/Institute

ICN2

Country

Spain

Geofield

Where to apply

Website

https://jobs.icn2.cat/job-openings/610/postdoctoral-researcher-alcoat-first-pri…

Contact

State/Province

None

City

Bellaterra

Website

http://icn2.cat/en/

Street

Campus UAB, Bellaterra (Barcelona)

Postal Code

08193

STATUS: EXPIRED