Humans of the CoReACTER

	Evan Walter Clark Spotte-Smith (EWCSS) (they/them) Current Position: Ad Astra Fellow and Assistant Professor of Chemistry, UCD; Adjunct Professor of Chemical Engineering, CMU E-mail: ewcspottesmith@cmu.edu
	Vanshika Raj Singh (she/her) Current Position: Bachelor's Student in Chemical Engineering, Birla Institute of Technology, Mesra E-mail: vanshikarajsinghv@gmail.com
	Mohammad Nahidul Islam (he/him) Current Position: Incoming Master's Student in Chemical Engineering, University of Calgary E-mail: nahidulislam.che@gmail.com
	Sam Hoffheinz (he/him) Current Position: Bachelor's Student in Environmental Chemistry, UCD E-mail: samuel.hoffheinz@ucdconnect.ie

	Samuel M. Blau (he/him) Current Position: Career Research Scientist, LBNL E-mail: smblau@lbl.gov
	Rachel C. Kurchin (she/her) Current Position: Assistant Research Professor, CMU E-mail: rkurchin@cmu.edu

	Shreya Pagaria (she/her) Current Position: Master's Student in Artificial Intelligence Engineering-Chemical Engineering E-mail: spagaria@andrew.cmu.edu
	Katherine (Kitty) Pierre-Louis (she/her) Current Position: Engineer, Newport News Shipbuilding E-mail: kpierrel@andrew.cmu.edu
	Punna Amornvivat (she/her) Current Position: Bachelor's Student in Chemical Engineering, CMU E-mail: pamornvi@andrew.cmu.edu

Interested in Joining?

Before you reach out or apply to work with us, it's a good idea for you to check out The CoReACTER Manual. If you like what you see and you feel aligned with our goals and philosophies, great! If you find yourself disagreeing with a lot of our core principles, this might not be a place where you want to devote your energy.

Graduate Students

One doctoral (PhD) position (4 years) is available to work in the CoReACTER within the School of Chemistry at University College Dublin. The doctoral student will be supervised by EWCSS, an Assistant Professor in the School of Chemistry. This position is intended to begin September 1, 2026.

The aim of this project is to develop a fundamental understanding of cross-talk reaction mechanisms in electrochemical systems, with a primary focus on Li-ion and Na-ion batteries. Cross-talk occurs when reductive products formed at the battery's negative electrode transport to the positive electrode and/or oxidative products formed at the battery's positive electrode transport to the negative electrode via some combination of diffusion, migration, and convection. Once at the opposite electrode, these products engage in further reactivity, frequently hampering electrochemical performance. Although cross-talk is recognized as an important process in many electrochemical systems, including metal-ion batteries, little is known about cross-talk mechanisms.

In this project, the student will use multi-scale modeling, combining elementary reaction mechanisms with mesoscale and continuum-scale multiphysics simulations to study the time evolution of battery electrolytes and interphases. This project will involve developing multi-scale simulation methods, but technical aims related to mitigating electrolyte degradation and improving battery stability are also important. Extensions to electrochemical systems beyond metal-ion batteries (e.g., electrocatalysis, electro-organic synthesis) are possible.

Note that this is a purely computational and theoretical position, with no laboratory or experimental component.

One scholarship with a stipend of €25,000 per annum is available for 4 years for the successful applicant. Fees will be also covered. There will be a requirement to teach in undergraduate laboratories and tutorials as part of the scholarship.

Tasks:

The successful candidate will be involved in:

1. Applying first-principles and machine learning-based atomistic simulations to predict (electro)chemical reaction pathways

2. Designing and implementing multi-scale electrochemical simulations combining elementary reaction mechanisms with multi-phase mesoscale and/or continuum-scale simulations

3. Contributing to and maintaining open-source software packages related to reaction pathway analysis, mesoscale and/or continuum-scale modeling, and automated simulation and analysis workflows

4. Developing a detailed mechanistic understanding of the interactions between oxidative and reductive processes in metal-ion batteries

5. Communicating scientific findings publicly through formal (e.g., preprints, journal articles, conference posters, and presentations) and informal avenues

Desired Qualifications:

We are looking for candidates who:

• Hold Bachelor's (required) or Master's (preferred) degrees in chemistry, chemical engineering, materials science and engineering, or a related field;

• Emphasize teamwork, collaboration, and building positive community;

• Have experience in software development/engineering in at least one general-purpose programming language (e.g., Python, Julia, C/C++, Fortran, Rust). Experience with scientific, numerical, and/or GPU programming is a plus;

• Have prior experience with electrochemistry and/or energy storage devices;

• Have skills or experience related to chemical thermodynamics, kinetics, and (especially mass and charge) transport;

• Are familiar with chemical simulation techniques, including but not limited to density functional theory, molecular dynamics, (kinetic) Monte Carlo modeling, finite-element modeling, and multi-scale or multiphysics simulations;

• Hold values such as honesty, modesty, collectivism, justice, kindness, and curiosity and are committed to the ethical practice of science;

• Have skills in (scientific) written and oral communication and want to apply these skills to share research findings;

Candidates who do not meet all of these criteria should not feel discouraged. If you are interested in the project and committed to learning and growth, please feel free to apply.

How to Apply:

Interested candidates should submit a brief (1 page or less) cover letter, CV, academic transcripts, and certificates of your academic qualifications to evan.spotte-smith@ucd.ie or to CoReACTER@proton.me. In your cover letter, please be sure to address the following:

• Why are you interested in working on this project?

• Why, specifically, are you interested in working with (and within) the CoReACTER?

• What is your dream vacation destination?

For more information about the position, please contact EWCSS at evan.spotte-smith@ucd.ie.

We are committed to promoting equity, diversity, inclusion, and belonging in the CoReACTER. We encourage applications from candidates of all backgrounds and especially encourage candidates from marginalized backgrounds (along dimensions such as gender, disability, madness, sexuality, age, ethnicity, race, family status, socioeconomic status, Roma/Traveller status, nationality, and religion, as well as intersections thereof) to apply.

Postdocs

We do not currently have funding for postdoctoral researchers, but interested candidates who currently hold external funding or are willing to pursue postdoctoral fellowships are always welcome to reach out. Some opportunities for postdoc fellowships are provided in our resources page.

Undergraduates

The CoReACTER always welcomes undergraduate researchers! No prior research experience is required to work in the CoReACTER, but a background in chemistry, chemical engineering, materials science, or computer science may be helpful.

UCD: There are some formal systems in place for UCD students to get research experience. You can receive summer research placements, though opportunities are limited. You can also work in the CoReACTER as part of your fourth-year research project. Of course, you can work with us even without this formal support, but we may not be able to compensate you (and we really don't support uncompensated labor)!

CMU: CMU students can also perform research for credit. It may also be possible to obtain funding for undergraduate research (e.g., through HURAY, SURF, or ChESS). Note that, since EWCSS is an Adjunct Professor who is not physically located in Pittsburgh, collaboration with the CoReACTER may be more logistically challenging than working in other research groups.

Instructions

If you are interested in working in the CoReACTER, please send an e-mail to EWCSS. In your message, please provide a CV and answer the following questions:

1. What project(s) you are interested in working on?

2. Why you are interested in this work, and why are you interested in performing this work within the CoReACTER?

3. What is your dream vacation destination?