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.
Co-directed by Angel Rubio and 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. Specifically, the ICC has dedicated research efforts in molecular and solid-state electronic structure theory, statistical mechanics and enhanced sampling, and machine learning for chemistry and materials science. 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. ICC is composed of 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 a 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.
COMPENSATION & BENEFITS
Applications will be reviewed in December 2026 and considered on a rolling basis until the positions are filled. For full consideration, apply by December 1, 2026.
The Flatiron Institute values authenticity, originality, and transparency throughout the application and hiring process. Applicants are expected to submit application materials that reflect their own original work, experiences, ideas, writing, and scientific or professional judgment. The use of AI-based tools may be appropriate for limited purposes during the hiring process, such as editing, formatting, or code review. However, application materials, including research statements, cover letters, personal statements, and other writing samples, should not be substantially authored or generated by AI systems.
Applicants are encouraged to disclose any significant or material use of AI tools in the preparation of their application materials or throughout the hiring process. The Flatiron Institute does not use AI-based tools to screen applicants.
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
The Simons Foundation’s mission is to advance the frontiers of research in mathematics and the basic sciences.
Since its founding in 1994 by Jim and Marilyn Simons, the foundation has been a champion of basic science through grant funding, support for research and public engagement. We believe in asking big questions and providing sustained support to researchers working to unravel the mysteries of the universe.
The Simons Foundation makes grants in four areas: Mathematics & Physical Sciences, Life Sciences, Autism & Neuroscience, and Science, Society & Culture.
Our Flatiron Institute was opened in 2016 and conducts scientific research in-house, supporting teams of top computational scientists.
