Research Associate-Theoretical

** Job Description*
* *
* Job Title:

Research Associate - Genesis Phase I award*
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* Position Overview:

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* Applications are invited for a research associate position at SLAC National Accelerator Laboratory in the Genesis award project on Critical Materials Recovery, which is a collaboration between experiment (PIs Ahamed Irshad Maniyanganam and Jagjit Nanda) and theory (PI Frank Abild-Pedersen). The scope of the project is combining experimental input with thermodynamic databases, descriptors, and grand canonical simulations of varying metal-ligand-water coordination states, non-stoichiometric surfaces, and solid/electrolyte interfaces to develop and deploy an AI research engine (MOSS), to generate hypotheses.

The work will consist of theoretical simulations of the reactions involved in selective critical materials recovery (Ni 2+ , Co 2+ , and Mn 2+ ) from complex battery waste and building a multi-agent AI research engine framework capable of generating mechanistically grounded, experimentally testable hypotheses for ligand-mediated electrochemical separation, with demonstrated iterative improvement from experimental feedback.

This is a  
** one-year fixed term position
** with the possibility of extension. Research Associates are engaged with the design, support, operation and/or scientific exploitation of the major programs of the laboratory, under the guidance of their faculty or Senior Staff Scientist / Distinguished Staff Scientist supervisor. They are expected to work with a significant degree of independence on one or more specific tasks in support of the research program, frequently interacting with the laboratory's scientific community.

** Given the nature of this position, SLAC requires working on-site.*
* ** Responsibilities include but are not limited to the following:*
* + Development and integration of MOSS with an electrochemical validation platform to execute AI-experiment cycles on Co/Ni/Mn/Fe/Cu/Al mixtures representative of battery leachates. Theoretical work will include:

+ Simulation of complex interfaces and the reaction dynamics.

+ Simulation of ion solvation, ligand interactions, and ion precipitation in an aqueous media.

+ Close collaboration with experimental efforts at SLAC and USC.

+ Disseminating results through publication, presentation and conference participation.

+ Any additional duties as may reasonably be required within the general scope of the position.

** To be successful in this position you will bring:*
* + Ph.D. in physics, chemistry, materials science or other related field, and 2 years of experience performing DFT calculations and modeling materials properties or chemical reactions.

+ Strong background in computational physics or chemistry.

+ Proficiency in scientific programming using Python.

+ Excellent mathematical and analytical skills.

+ Good communication, organization and interpersonal skills.

+ The ability to work well in a multi-disciplinary and diverse team focused on understanding heterogeneous reactions at the solid-liquid interface in collaboration between theory and experiments.

Applicants will be evaluated on research experience and accomplishments in their field of expertise. Applicants will provide evidence of either a recently completed PhD degree, or confirmation of completion of the PhD degree requirements prior to starting the position.

** Desired

Skills:

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* + Prior experience (preferred 2 or more post-PhD years) in modeling complex chemical reactions.

+ Prior experience (preferred 2 or more post-PhD years) in modeling charge transfer processes in batteries or electrochemistry.

+ Commitment to fostering diversity in science through mentorship and outreach.

Applicants will be evaluated on research experience and accomplishments in the field of expertise.

Please send a cover letter, a CV (resume) with a list of publications, research experience and accomplishments, and names of two references, to the addresses below:

Ahamed Irshad Maniyanganam, email: irshadnford.edu

Jagjit Nanda, email: jnandanford.edu

Frank Abild-Pedersen, email: abildnford.edu

** SLAC employee competencies:*
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** Effective Decisions** :
Uses job knowledge and solid judgment to make quality decisions in a timely manner.

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** Self-Development** :
Pursues a variety of venues and opportunities to continue learning and developing.

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** Dependability** :
Can be counted on to deliver results with a sense of personal responsibility for expected outcomes.

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** Initiative** :
Pursues work and interactions proactively with optimism, positive energy, and motivation to move things forward.

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** Adaptability** :
Flexes as needed when change occurs, maintains an open outlook while adjusting and accommodating changes.

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** Communication** :  Ensures effective information flow to various audiences and creates and delivers clear, appropriate written, spoken, presented messages

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** Relationships** :
Builds relationships to foster trust, collaboration, and a positive climate to achieve.

** Physical requirements and

Working…