Associate Research Scientist/Research Scientist (Open Rank), Initiative for Computational Catalysis

The Initiative for Computational Catalysis (ICC) invites applications for an Associate Research Scientist position. Consideration will be given to applicants in all areas of research relevant for computational catalysis, including electronic structure theory, statistical mechanics, molecular and quantum dynamics, and machine learning or data science approaches. In exceptional circumstances, appointment at the Research Scientist level may be considered.

Directed by Angel Rubio and co-directed by Timothy Berkelbach, the Initiative for Computational Catalysis (ICC) develops and applies new computational techniques to fundamental open problems in catalysis, broadly defined. These techniques will possess the accuracy necessary for meaningful, quantitative predictions of catalytic chemical reactions, such as those underlying the transition away from a fossil fuel dependent economy, with more general impacts in the energy, agricultural, pharmaceutical, and transportation industries. For more information about the research agenda of ICC, see: https://www.simonsfoundation.org/flatiron/initiative-on-computational-catalysis/

ICC opened on July 1, 2024 and will be a ten-year effort within the Flatiron Institute. At its peak, ICC will comprise 25 research and software scientists at career stages from recent Ph.D.s through senior scientists, as well as support staff, visiting scientists, and affiliated graduate students and interns. ICC has vigorous visitor and workshop programs and maintains strong interactions with scientists from neighboring institutions. 

Associate Research Scientists at ICC are researchers who develop theoretical concepts, algorithms, and codes, and apply these to obtain new insights into the electronic structure and molecular dynamics of catalyzed chemical reactions—including homogeneous, heterogeneous, and enzyme catalysis. Associate Research Scientists develop their own research programs and also work in collaboration with ICC Research Scientists as well as postdoctoral fellows. Reporting to the director or co-director of ICC, these positions are based at the Simons Foundation in New York City.

Associate Research Scientists are typically appointed for an initial three-year period; the appointment may be renewed for up to another three years. Research Scientist positions are not term-limited. Associate Research Scientists may be reviewed for promotion to a non-term-limited position as a Research Scientist. Hiring will occur at either level depending on the qualifications of the applicant.

 Essential Functions/Responsibilities:

• Conduct research and/or develop and implement novel algorithms and codes relevant to ICC research directions


• Publish research in refereed scientific and technical journals and present research at scientific conferences


• Provide publicly available software for use by the scientific community


• Support the public use of available software


• Assist in the organization of ICC-related workshops, conferences and group seminars


• Supervise research conducted by Flatiron research fellows and graduate and undergraduate students from neighboring institutions


• Mentor summer students and assist in the organization of summer programs


• Perform other duties or tasks as assigned or required

Education

• Ph.D. in a related field

Related Skills & Other Requirements

• Postgraduate research experience (typically 2 to 6 years for ARS positions) in theoretical chemistry, materials science, quantum many-body theory, condensed matter physics, or another field of interest to the ICC.


• A record of excellence in scientific publication


• Ability to do original and outstanding computational research


• Effective oral and written communication skills


• Ability to work independently as well as in a collaborative team environment

Required Application Materials

• CV


• Research statement outlining both past research accomplishments and a vision for scientific research at the ICC


• Three (3) letters of recommendation submitted confidentially by the letter writers

 Deadline

• Applications for available positions that begin in 2026 will be reviewed in Fall 2025 and considered on a rolling basis until the positions are filled. For full consideration, application by December 5th, 2025 is recommended.

Compensation and Benefits 

• The salary range for a hire at the Associate Research Scientist level is $130,000 to $165,000. The salary at the Research Scientist level is $155,000 to $215,000.


• In addition to competitive salaries, the Simons Foundation provides employees with an outstanding benefits package.

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