Summer Research Interns, 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 is the newest to the Flatiron Institute 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.

POSITION SUMMARY

The Initiative for Computational Catalysis (ICC) seeks seasonal, full-time paid research interns interested in 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.

 Under the mentorship of one or more ICC scientists during the summer, Research Assistants/Associates will contribute to ICC research by joining an ongoing research project.

 Internship positions are intended for beginning graduate students or advanced undergraduates. Undergraduate students will be appointed with the title of Summer Research Assistant, while graduate students will be appointed with the title Summer Research Associate. Graduate students already embarked on a thesis project should consider applying to the Flatiron predoc program instead.

 The internship will take place in-person at the Simons Foundation’s offices in New York City.  Applicable travel assistance to New York City and a supported temporary housing option while in New York City may be available.

 For more information, please visit the Summer at Simons page.

 ESSENTIAL FUNCTIONS/RESPONSIBILITIES

• 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 include reporting on research, writing documentation, and performing other ICC mission-related tasks or duties as required.

Period of Internship:

• Summer 2026: June 1 - August 14, 2026

Compensation:

• Interns at the Research Assistant (undergraduate) level will earn $20/hour


• Interns at the Research Associate (graduate) level will earn $25/hour

Education

• Candidates will normally have completed an undergraduate degree and be enrolled in or accepted to a graduate program in physics, chemistry, materials science, or a related field, although in exceptional cases advanced undergraduate students may be considered.

Experience

• Experience with computational chemistry, materials science, statistical mechanics, machine learning, and/or high-performance computing strongly preferred.

Related Skills & Other Requirements

• The successful applicant should have 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.

Required Application Materials

• Curriculum vitae


• Transcript indicating completed courses


• Cover letter or research statement mentioning your areas of interest related to ICC’s range of activities.


• Names and contact information for two scientists who can be contacted for references.

Deadline to Apply:

• January 16, 2026

Our Commitment to Expanding Pathways to Science & Opportunities for All:

Many of the greatest ideas and discoveries come from a diverse mix of minds, backgrounds, and experiences. The Simons Foundation is committed to advancing basic science and mathematics to benefit humankind and expand our collective understanding of our world. As part of our mission, we support partners, programs, and initiatives that seek to broaden the scientific community and open pathways to science and mathematics careers.

The Simons Foundation provides equal opportunities to all applicants without regard to race, religion, color, age, sex, pregnancy, national origin, sexual orientation, gender identity, genetic disposition, neurodiversity, disability, veteran status, or any other protected category under federal, state, and local law