Job announcements relevant to people interested in electronic structure calculations…
Due to the large number of posts recently, there is currently a delay of several weeks between posts being submitted and the corresponding emails being distributed to all users. Please bear with us while we try to improve this. In the meantime – and until this notice is removed – it would assist us considerably if you could submit only important and/or urgent posts and thus help to reduce the size of the mail queue. Under no circumstances should you resend posts multiple times when you find the emails are not distributed immediately.
In light of the Russian military offensive in Ukraine, we request that announcements relating to events, jobs and other activities associated with institutions supported by the Russian and Belarusian states are not posted to the Psi-k forum.
Research Technician in Atomistic Simulations of ... (No replies)
Back to Job listings...
The position
BCAM – Basque Center for Applied Mathematics, is an interdisciplinary research center located in Bilbao, Basque Country – Spain. The MSLMS group of Prof. Elena Akhmatskaya develops, adapts, and applies advanced atomistic simulation methods to study energy storage materials and complex systems. We are looking for a promising young researcher to work with us in the study of composite solid-state electrolytes using classical force fields and enhanced atomistic simulation methods. The post is limited to a period of 6 months.
The Project
Li-ion batteries have triggered a revolution in portable electronics that has considerably changed our lifestyle. However, the organic liquid electrolytes in use today are flammable and cannot be employed along with metallic lithium electrodes, which could significantly increase energy density. Solid-state electrolyte materials can reduce the risk of fire in case of battery failure and can, in principle, address the issues associated with replacing graphite electrodes with metallic lithium.
In composite solid-state electrolytes (CSSEs), hard ceramic particles (filler) are embedded within a flexible polymer matrix. The polymer provides mechanical flexibility and intimate interfacial contact with the electrodes, while the filler reinforces the polymer and reduces its crystallinity. We aim to provide a fundamental background for the rational design of this type of CSSEs.
We have recently investigated polyethylene oxide (PEO) - LiTFSI complexes embedding conductive GaxLi7-3xLa3Zr2O12 (Gax-LLZO) filler particles, using a combination of in-house hybrid Monte Carlo methods and Molecular Dynamics simulations (ACS Appl. Mater. Interfaces, 2021). The next step is to investigate the interface of (PEO) – LiTFSI/Gax-LLZO CSSEs at different Ga contents (0.15 < x < 0.30) for a range of conditions and settings. From the results, the researcher should conclude whether the LLZO particle composition has a significant impact on the structure and conductivity of the polymer phase. The study will be conducted in collaboration with CIC energyGUNE (Spain) and Purdue University (USA).
Requirements
- Bachelor’s or MSc. degree preferable in Physics, Chemistry, Mathematics, Computer Science, or related fields.
- Good interpersonal skills.
- Demonstrated ability to work independently and as part of a collaborative research team.
- Ability to present and publish research outcomes in spoken (talks) and written (papers) form.
- Ability to effectively communicate and present research ideas to researchers and stakeholders with different backgrounds.
- Fluency in spoken and written English.
Scientific profile
- Basic background in atomistic simulation methods such as Molecular Dynamics and/or Density Functional Theory.
- Basic knowledge of LAMMPS and/or GROMACS and atomistic visualization software.
- Working knowledge of Linux and job schedulers (e.g. Slurm, Torque, etc).
- Basic knowledge in materials science and electrochemistry (desirable).
Application
The selected candidate must have applied before the application deadline online at the webpage http://www.bcamath.org/en/research/job and selecting IC2021_07 Research Technician in Atomistic Simulations of Composite Electrolyte Materials- Severo Ochoa Program. The Application Deadline is 30th July 2021, 14:00 CET (UTC+1).