Pre-Doctoral Researcher, Initiative for Computational Catalysis

The Flatiron Institute is a research unit established by the Simons Foundation to advance scientific research through computational methods, including data analysis, modeling, and simulation. The Initiative for Computational Catalysis (ICC) is the newest component, launched in July 2024, and is dedicated to the development and application of computational techniques enabling the rational design of more efficient and affordable catalysts. In order to tackle the complex mechanisms and dynamics of catalytic processes, research from electronic structure, molecular dynamics, and machine learning are combined in computational approaches.

In addition to ICC, the Flatiron Institute hosts the Centers for Computational Astrophysics, Computational Biology, Computational Mathematics, Computational Quantum Physics, and Computational Neuroscience, and a common scientific computing core.

The ICC seeks temporary full‑time Pre‑doctoral Researchers as part of its Pre‑Doctoral Program. This program provides graduate students pursuing their PhD in a relevant field the opportunity to be employed at the ICC for 4 months to work on a research project with one or more ICC staff mentors. This position will be based onsite at the foundation in New York City.

Applicants should indicate one or more potential mentors at ICC and must have approval of their thesis advisor. Pre‑doctoral sessions will be held in the Fall and Spring. Applications submitted by May 29, 2026 will be considered for the Fall 2026 session. Applications submitted by August 28, 2026 will be considered for the Spring 2027 session.

Research projects may entail developing and implementing the concepts, algorithms, and codes needed to obtain insight into the microscopic processes of catalytic reactions, and ultimately predict materials with targeted catalytic properties. Information about potential mentors and research projects may be obtained from ICC’s website.

Education

• Currently engaged in dissertation research in a PhD program in a field such as physics, chemistry, materials science, or a related field relevant to the proposed research.

• Reporting to a designated ICC staff scientist, the research intern will apply skills of analytical calculation, algorithm development and implementation, testing and running computer codes, and data analysis to topics of relevance to ICC’s mission.
• Other responsibilities, including reporting on research, writing documentation, and performing other ICC mission‑related tasks or duties as required.

• At least 1‑2 years of advanced coursework in areas relevant to the proposed research along with 1 or more years of relevant research experience.
• Demonstrated understanding of basic research skills.
• Experience with programming in one or more of the following:
  Matlab, Python, Julia, Fortran or C/C++ under Windows, OS‑X or Linux operating systems.

• Technical and scientific curiosity.
• Professional and effective communication skills.
• Excellent collaboration skills.
• Knowledge of software engineering practices for working in groups, including software development life cycles, coding standards, code review and version control systems (e.g., Git) and knowledge of Linux is desirable.

• CV and publication list.
• Description of previous research experience (not to exceed two pages).
• Research proposal of not more than 2 pages outlining planned work at Flatiron, including name(s) of potential mentor(s) and the Fall or Spring session dates.
• Two (2) letters of recommendation submitted confidentially by the letter writers through Interfolio. One letter must be from the applicant’s PhD supervisor and must explicitly approve the applicant’s possible participation in the Pre‑Doctoral Program as well as confirm that, should they be selected, there will be tuition support during their time in the Pre‑Doctoral program.

• Fall 2026:
  September 8, 2026 to December 18, 2026
• Spring 2027:
  January 11, 2027 to May 14, 2027

• The Final date to receive applications for the…