Careers

The Center for Computational Quantum Physics (CCQ) and the Initiative for Computational Catalysis (ICC) invite applications for a joint Associate Research Scientist position. Consideration will be given to applicants in areas of research relevant to both centers, such as first-principles electronic structure methods for strongly correlated molecules and materials, quantum embedding for energies and forces, electronic and nonadiabatic dynamics, machine learning, and data-driven approaches to electronic structure and dynamics.

Associate Research Scientists at CCQ and ICC are researchers who develop theoretical concepts, algorithms, and codes, and apply these to obtain new insights into the electronic structure and dynamics of molecules and materials. Associate Research Scientists develop their own research programs and also work in collaboration with other scientists, including postdoctoral fellows. Reporting to the directors of CCQ and ICC, these positions are based at the Simons Foundation in New York City.

The Center for Computational Neuroscience (CCN) aims to develop theories, models, and computational methods that deepen our knowledge of brain function. CCN takes a “systems” neuroscience approach, building models that are motivated by fundamental principles, that are constrained by properties of neural circuits and responses, and that provide insights into perception, cognition and behavior. This cross-disciplinary approach not only leads to the design of new model-driven scientific experiments, but also encapsulates current functional descriptions of the brain that can spur the development of new engineered computational systems, especially in the realm of machine learning. CCN is one of five centers that make up the Flatiron Institute, an internal scientific unit of the Simons Foundation, focused on computational aspects of a wide range of basic science. The overall mission of the Flatiron Institute is to advance scientific research through computational methods, including theory, modeling, simulation and data analysis.

Applications are invited for paid, full-time research internships at the Center for Computational Mathematics (CCM) in all our active areas of research. CCM is one of five centers of the Flatiron Institute, an internal research division of the Simons Foundation. Our mission at CCM is to create new mathematical approaches, algorithms and software to advance scientific research in multiple disciplines, often in collaboration with other Flatiron Centers.

Tremendous opportunities exist at the intersection of mathematics, computer science, statistics, and their scientific applications, with the lines between theory, algorithm development and software implementation often blurred. Beyond the creation of new simulation and analysis methods, a major goal of CCM is to make these methods available to the scientific community. The Center also hosts an array of meetings, workshops and conferences, serving as a focal point for the field internationally.

The Center for Computational Quantum Physics invites applications for seasonal, full-time research interns interested in developing and implementing the concepts, algorithms and codes needed to understand the quantum mechanical behavior of many-particle systems, and to translate this understanding into useful predictions of the behavior of molecules and materials. Under the mentorship of one or more CCQ scientists during the summer, Research Assistants/Associates will contribute to CCQ research by joining an ongoing research project. This is a paid position. The summer 2026 internship period is from June 1 to August 14.

Each summer, the Center for Computational Biology hires seasonal, full-time research interns interested in developing modeling tools and theory for understanding biological processes, and in creating computational frameworks to analyze the large, complex data sets being generated by new experimental technologies. The full-time paid internship will run from June 1, 2026 through August 14, 2026 in New York City, with housing and roundtrip travel expense reimbursement for non-local interns. Mentored directly by CCB scientists, summer interns will contribute to ongoing CCB research projects, engage with the broader scientific community with the Flatiron Institute and the Simons Foundation; and actively participate in Summer at Simons programming. For summer 2026, we are recruiting interns for all CCB research groups, including Biological Transport & Networks, Biomolecular Design, Biophysical Modeling, Developmental Dynamics, Genomics, Statistical Biophysics, Computer Vision & Machine Learning and Statistical Biophysics. Applications will be accepted from December 1, 2025 through January 16, 2026.

Applications for funded sabbatical visits (or long-term visits) to the Center for Computational Astrophysics, CCA are now open for Fall 2026 and Spring 2027. During their time at CCA, visiting researchers will engage in projects independently and in collaboration with members of the CCA. Prospective visiting researchers may apply through this channel to spend between 1–12 month(s) at the CCA with the average length of visit being 5 months. Selected applicants will have substantial flexibility in how they might structure their visit. These types of visitors are typically appointed as consultants or independent contractors, and are expected to have been in a faculty-level or equivalent position for several years.

The Center for Computational Biology (CCB) of the Simons Foundation’s Flatiron Institute is actively seeking enthusiastic, full-time post-doctoral Flatiron Research Fellows to join its Biophysical Modeling and Genomics groups in 2026. This joint position bridges two complementary efforts within CCB. The Biophysical Modeling group focuses on the modeling and simulation of complex systems that arise in biology and soft condensed matter physics. The Genomics group develops AL/ML methods to interpret genomes and distill the immensely complex networks that form the foundation of human biology and disease. Together, these groups aim to develop integrative, hybrid models that combine deep learning for genome interpretation with mechanistic biophysical representations of its structure, dynamics, and regulation. Their joint work seeks to build theoretical and computational frameworks that link genome-scale regulatory models with quantitative, physics-based understanding of molecular and cellular organization. A key focus is on predictive modeling of how genetic variation alters the biophysical properties of neurons and the downstream phenotypic manifestations relevant to ASD and related conditions. The uniqueness of this position lies in its explicitly interdisciplinary nature—offering the opportunity to work at the intersection of AI/ML genomic modeling and mechanistic biophysical modeling—and in its close integration with directed experimental investigations within the CCBx experimental network.

The Center for Computational Biology (CCB) of the Simons Foundation’s Flatiron Institute is actively seeking enthusiastic, full-time post-doctoral Flatiron Research Fellows to join its Structural & Molecular Biophysics and Biomolecular Design groups for a joint appointment in 2026, as part of the Collaboration on Molecular Physics and Sampling Strategies (COMPASS). The Structural & Molecular Biophysics group uses long timescale molecular dynamics (MD) simulations, integrated with experimental observables (especially cryo-electron microscopy data), and machine learning tools to better capture the dynamics of biological macromolecules and to understand their function. Complementing this work, the Biomolecular Design group applies the current understanding of the theory of protein folding and function to design new, synthetic heteropolymers, built from exotic chemical building blocks, which fold into new structures inaccessible to natural proteins, and which perform new functions. In addition to giving rise to useful new molecules that can serve as drugs, nanomaterials, or catalysts, this also serves as the ultimate test of our understanding of protein folding.Together through the Molecular Ensemble Sampling and Simulation (MESS) collaboration, the groups are working together to advance computational methods for the design and understanding of molecular motion, and addressing current obstacles to accuracy and tractability. The successful candidate will carry out a research project to advance these goals. Particular foci include 1) engineering open-source software infrastructure to facilitate analysis of macromolecular motion and design of motile macromolecules, 2) integration of physics-based simulation and machine learning methods, 3) development of enhanced approximation methods (implicit solvation, coarse-graining, etc.) to improve the tractability of currently expensive calculations, 4) the incorporation of molecular design tools to interpret cryo-EM data, or 5) the design of molecules of potential medical interest.

The Center for Computational Quantum Physics (CCQ) invites applications for an Associate Research Scientist position at CCQ. Applicants should have a strong background and research agenda in one or several fields of relevance to CCQ, including: computational theories of quantum materials, computational approaches to the quantum many-body problem, machine-learning/artificial intelligence approaches to quantum systems.

Associate Research Scientists at CCQ are researchers who develop theoretical concepts, algorithms and codes, and apply these to obtain new insights into the quantum-mechanical behavior of models, materials and molecules. They develop their own research programs and also work in collaboration with other CCQ scientists including postdoctoral fellows. Reporting to research scientists, and/or the director or co-director of CCQ as appropriate, these positions are based at the Flatiron Institute, Simons Foundation in New York City.

The Center for Computational Biology (CCB) of the Simons Foundation’s Flatiron Institute is seeking full-time post-doctoral Flatiron Research Fellows to join its Biological Transport Networks group in 2026. The primary objective of the Biological Transport Networks group is to unravel the intricate relationships among the architecture of transport networks, their physical and developmental constraints, and their contribution to the overall fitness of the organisms they serve. Ultimately, we seek to integrate computation, theory and experimental data to bridge our micro- and mesoscopic knowledge of living processes and the intricacies of large-scale networks. By doing so, we aspire to unveil biological principles that can provide insights into comparative physiology across different species. Of particular interest is the modeling of transport networks across multiple scales, including their function, development and remodeling.

The Flatiron Institute, an internal research division of the Simons Foundation, is a community of scientists who are working to use modern computational tools to advance our understanding of science both through the analysis of large, rich datasets and through the simulations of physical processes. Our mission is to advance scientific research through computational methods, including data analysis, theory, modeling and simulation.

Directed by Dr. Leslie Greengard, the mission at the Flatiron Institute’s Center for Computational Mathematics is to create new mathematical approaches, algorithms and software to advance scientific research in multiple disciplines, often in collaboration with other Flatiron Centers. CCM has particularly strong research groups in the areas of numerical analysis, image and signal processing, computational statistics, and machine learning.

The Center for Computational Biology (CCB) of the Simons Foundation’s Flatiron Institute is seeking full-time post-doctoral Flatiron Research Fellows to work on information processing in biological networks and nonequilibrium thermodynamics of living systems. Current areas of interest include (but not limited to) molecular mechanisms and nonequilibrium thermodynamics in living systems responsible for important regulatory functions such as signal transduction, molecular motor control, synchronization of biochemical oscillations, and gene regulation.

The Center for Computational Biology (CCB) of the Simons Foundation’s Flatiron Institute is seeking full-time post-doctoral Flatiron Research Fellows to join its Developmental Dynamics group in 2026. The Developmental Dynamics group combines experiments, theory and computing to elucidate the contributions of encoded genomic instructions and self-organizing physical mechanisms to embryonic development. The group’s research is organized around three main themes: the mechanistic modeling of pattern formation and morphogenesis; the synthesis and decomposition of developmental trajectories; and the modeling of human developmental defects. We are looking for candidates interested in data-driven modeling of biological systems, especially in the context of behavioral changes during postembryonic development. We have devised a throughput approach for recording such changes in Drosophila and are evaluating a range of data analysis and modeling for data mining.

The Center for Computational Biology (CCB) of the Simons Foundation’s Flatiron Institute is seeking full-time post-doctoral Flatiron Research Fellows to join its Biophysical Modeling group in 2026. The Biophysical Modeling group focuses on the modeling and simulation of complex systems that arise in biology and soft condensed matter physics. Areas of interest include the dynamics of complex and active materials, and aspects of collective behavior and self-organization in both natural systems (e.g., inside the cell) and synthetic ones. Ongoing projects focus on understanding the organization and dynamics of the nucleus, the structure and assembly of spindles, the positioning and transport of cellular organelles, and fluid-structure problems in biology. Strong applicants with backgrounds in applied and computational mathematics, biophysics, engineering, statistical inference, and related fields are particularly encouraged to apply.

Applications are invited for postdoctoral Flatiron Research Fellowships (FRF) at the Center for Computational Mathematics (CCM), in the Flatiron Institute, in all our active areas of research. These include:

● Computational physics, including statistical mechanics, biophysics, fluid mechanics, quantum physics, and molecular dynamics
● Numerical methods for partial differential equations and integral equations
● Machine learning, especially the areas of optimization, learning theory, probabilistic modeling, deep learning, and high dimensional data analysis, as well as applications of scientific interest at Flatiron (e.g., cosmological modeling, quantum many-body systems, computational neuroscience)
● Statistical methodology, modeling, and inference
● Probabilistic and differential programming
● Numerical analysis, including numerical linear algebra and high-order methods
● High performance computing and open source software libraries

Applications are invited for scientists at all levels of seniority at the Center for Computational Mathematics (CCM), in the Flatiron Institute, in all our active areas of research. These include:

● Machine learning, especially the areas of optimization, learning theory, probabilistic modeling, deep learning, and high dimensional data analysis, as well as applications of scientific interest at Flatiron (e.g., cosmological modeling, quantum many-body systems, computational neuroscience)
● Statistical methodology, modeling, and inference
● Probabilistic and differential programming
● Computational physics, including statistical mechanics, biophysics, fluid mechanics, quantum physics, and molecular dynamics
● Numerical methods for partial differential equations and integral equations
● Signal and image processing, with a particular focus on structural biology
● Numerical analysis, including numerical linear algebra and high-order methods
● High performance computing and open source software libraries

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 launched 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.

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/

The Center for Computational Quantum Physics (CCQ) of the Simons Foundation’s Flatiron Institute invites applications for an Associate Research Scientist-Software position. In exceptional circumstances appointment at the research scientist level may be considered. The CCQ seeks candidates for the development of a CCQ quantum Monte Carlo software suite devoted to general-purpose, high-performance auxiliary-field quantum Monte Carlo computations, as well as assistance with the development and maintenance of other software suites as needed.
 
Associate Research Scientists-Software at CCQ are typically appointed for an initial 3 year period, with a possible extension for an additional 3 years. Promotion to a non term-limited Research Scientist-Software position is possible upon review. Starting dates are flexible, typically between July and December 2026. For full consideration, application by October 15, 2024 is recommended – review of applications will start soon after that date. Applications will be considered on a rolling basis until the position is filled.

The Center for Computational Quantum Physics (CCQ) of the Simons Foundation’s Flatiron Institute invites applications for Flatiron Research Fellow and Flatiron Research Fellow-Software postdoctoral positions. The initial appointment is for two years with possible renewal for a third year. Starting dates are flexible, typically between August 2026 and November 2026. Applications will be reviewed beginning in Fall 2025 and considered on a rolling basis until the positions are filled. For full consideration, application by October 12, 2025 is recommended.
 
Flatiron Research Fellows-Software are positions for scientists who have recently completed the PhD , plan work related to the quantum many-body problem that is more directly aligned with our software and coding efforts.

The Center for Computational Quantum Physics (CCQ) of the Simons Foundation’s Flatiron Institute invites applications for Flatiron Research Fellow and Flatiron Research Fellow-Software postdoctoral positions. The initial appointment is for two years with possible renewal for a third year. Starting dates are flexible, typically between August 2026 and November 2026. Applications will be reviewed beginning in Fall 2025 and considered on a rolling basis until the positions are filled. For full consideration, application by October 12, 2025 is recommended.
 
Flatiron Research Fellows are scientists who have recently completed the PhD and plan work on developing new concepts, algorithms, and codes needed to understand the many-particle quantum problem, and on the physical and chemical properties of systems requiring this new understanding.

The Center for Computational Quantum Physics’ (CCQ) Predoctoral Program provides graduate students pursuing their Ph.D. in a relevant field the opportunity to be employed at the CCQ for the purpose of working on a research project with one or more CCQ staff mentors. Applicants for these positions must have the approval of their thesis advisor.
These are paid, temporary full-time positions based onsite at the foundation here in New York City. There are two predoctoral sessions each year- Fall and Spring. Applications for the Fall sessions are accepted from mid-February until early April. Applications for the Spring session are accepted beginning in early July until early September.

The Center for Computational Biology is seeking an experienced software engineer to be the Project Lead for HumanBase (hb.flatironinstitute.org), a dynamic and interactive web-based platform that supports thousands of biomedical researchers in exploring the molecular mechanisms of human disease. This position is ideal for an experienced engineering leader with bioinformatics experience who thrives on solving complex problems at the intersection of large-scale data, advanced analytics, and scientific discovery. This is a high-impact role that directly advances the study of human genomics and disease.

The successful candidate will lead technical direction and execution, guide other software engineers, and collaborate closely with researchers at the Center for Computational Biology to translate cutting-edge computational biology into robust software tools. The Project Lead will be a hands-on engineering leader with experience in biological data and -omics technology, as well as a complementary skillset that includes both writing high-quality code and managing a small team of software engineers. Success in this role depends on the ability to translate biological questions into computational solutions, collaborate closely with internal scientific stakeholders, and drive technically rigorous projects that advance our understanding of human biology.

Each summer, the Center for Computational Quantum Physics hires seasonal, full-time research interns interested in developing and implementing the concepts, algorithms and codes needed to understand the quantum mechanical behavior of many-particle systems, and to translate this understanding into useful predictions of the behavior of molecules and materials. Under the mentorship of one or more CCQ scientists during the summer, Research Assistants/Associates will contribute to CCQ research by joining an ongoing research project.

These are paid, temporary full-time positions based onsite at the foundation here in New York City. Applications are accepted from December 1st until mid-January for the upcoming summer.

Applications are invited for postdoctoral Flatiron Research Fellowships (FRFs) at the Center for Computational Neuroscience (CCN) within the Flatiron Institute at the Simons Foundation. CCN’s research groups include:

● Computational vision (PI: Eero Simoncelli)

● Neural circuits and algorithms (PI: Dmitri ‘Mitya’ Chklovskii)

● Statistical analysis of neural data (PI: Alex Williams)

The mission of CCN is to develop theories, models, and computational methods that deepen our knowledge of brain function. CCN takes a vertically-integrated “systems” neuroscience approach, building models that are motivated by fundamental principles, that are constrained by properties of neural circuits and responses, and that provide insights into perception, cognition and behavior. This cross-disciplinary approach not only leads to the design of new model-driven scientific experiments, but also encapsulates current functional descriptions of the brain that can spur the development of new engineered computational systems, especially in the realm of machine learning.

The Simons Foundation’s Flatiron Institute seeks a full-time Research Fellow position as part of its new initiative, Polymathic AI, Building Foundation Models for Science. Recent advances in machine learning, including Large Language Models and diffusion-based generative models have driven significant advances in Artificial Intelligence. The Flatiron Institute seeks to leverage these ideas to develop the next generation of AI-powered scientific analysis tools, seeking more powerful and more interpretable models with broad applications to many scientific disciplines. Our group includes researchers from multiple scientific disciplines ranging from machine learning, to astrophysics, biology, neuroscience, and quantum computing.

As a member of the SCC team, the HPC Systems Engineer is responsible for the deployment, operation and maintenance of the Flatiron Institute’s Scientific computing infrastructure. The responsibilities include hardware monitoring and replacement for large scale HPC clusters with high-performance interconnects such as InfiniBand and Ethernet.

The Center for Computational Biology (CCB) of the Simons Foundation’s Flatiron Institute is seeking full-time post-doctoral Flatiron Research Fellows to join its Genomics group in 2026. The Genomics group works to interpret genomes and distill the immensely complex networks that form the foundation of human biology and disease, through accurate machine learning models. Current areas of interest include developing deep learning approaches for genome interpretation; development of methods for multi-omic and spatial data analysis and integration with phenotypic and clinical data; and machine learning and AI approaches for network modeling and regulatory module detection. These and other methods are developed in tight collaboration with experimental biologists, biomedical scientists, and clinicians and are applied to specific biological problems, both fundamental and biomedical.