Associate Research Scientist, Initiative 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.

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://(Use the "Apply for this Job" box below)./

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.

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

MINIMUM QUALIFICATIONS

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…