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What do interns do in a computational chemistry internship?

Computational Chemistry Interns often work on projects involving molecular simulations, quantum chemical calculations, or data analysis to support drug discovery or material science research. Daily responsibilities may include preparing computational models, running simulations, analyzing data, and presenting findings to senior scientists. Interns frequently collaborate with other chemists, biologists, and computational scientists, gaining exposure to interdisciplinary teamwork. This hands-on experience allows interns to apply classroom knowledge in real-world scenarios and build valuable skills for future career opportunities in research or industry settings.

What are the key skills and qualifications needed for a computational chemistry internship?

To thrive as a Computational Chemistry Intern, you need a solid background in chemistry, physics, and mathematics, often with coursework or research experience in computational methods. Familiarity with molecular modeling software (such as Gaussian, AMBER, or Schrodinger), programming languages (like Python or C++), and basic data analysis tools is highly valued. Strong problem-solving abilities, attention to detail, and effective communication skills help interns collaborate well with scientific teams. These competencies are crucial for accurately performing simulations, interpreting results, and contributing to research projects in a dynamic, interdisciplinary environment.

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Infographic showing various Computational Chemistry Internship job openings in the United States as of August 2026, with employment types broken down into 12% Internship, 58% Full Time, 27% Part Time, 1% Temporary, and 2% Contract. Highlights an 85% Physical, 2% Hybrid, and 13% Remote job distribution.

Flatiron Research Fellows (Postdoctoral Postion)

Simons Foundation

Manhattan, NY • On-site

$86 - $105/hr

Other

Posted 3 days ago

New


Key responsibilities

  • Developing, implementing, and maintaining novel algorithms and software related to many-particle quantum problems.

  • Performing theoretical and computational research in quantum physics and related fields.

  • Assisting in organizing collaborative activities such as seminars, workshops, and meetings.


Job description

Directed by Antoine Georges and co-directed by Andrew Millis, the Center for Computational Quantum Physics (CCQ) is a leading international center for the study of equilibrium and non-equilibrium many-body quantum systems, with applications to condensed matter physics, materials science, quantum materials, quantum emulators and related fields. The development of the concepts, algorithms and code libraries needed to advance the field is fundamental to the work of the center. Research projects currently pursued at CCQ cover a broad range of methods and interest, see: https://www.simonsfoundation.org/flatiron/center-for-computational-quantum-physics/

CCQ currently comprises more than 40 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. The institute has vigorous visitor and workshop programs and strong interactions with scientists from neighboring institutions.

Flatiron research fellows in CCQ are individuals at the postdoctoral level with backgrounds in one or more of the following areas: theoretical condensed matter physics, computational quantum physics, materials science, theoretical chemistry, quantum information, applied mathematics and computer science. Reporting to Research Scientists or the Center Director/co-Director as appropriate, Flatiron research fellows 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. Fellows are expected to disseminate their results through scientific publication, production of open-source software, participation in conferences, workshops, and seminars, and through mentorship of undergraduate and graduate students as appropriate. CCQ also plans to advertise at least one Flatiron Research Fellow-software position, suitable for a postdoctoral-level scientist with interests more directly aligned to our software and coding efforts.

The initial appointments are generally for two years, with the possibility of renewal for a third year, contingent on performance. FRFs may be eligible for subsidized housing within walking distance of the CCQ. The anticipated start date is between end of August 2027 and late November 2027.

Responsibilities include but are not limited to:

  • Performing theoretical and computational research
  • Developing, implementing and maintaining novel algorithms and software.
  • Assisting in the organization of CCQ and Flatiron-wide collaborative activities including seminars, workshops and meetings
  • Actively participating in the preparation of manuscripts for publication and of presentations at scientific conferences
  • Sharing expertise and providing training and guidance to CCQ staff and visitors as needed.

This position will be based, and have a principal office or workspace, at the foundation’s offices in New York City.

Qualifications

MINIMUM QUALIFICATIONS

Education

  • Ph.D. in relevant field

Related Skills & Other Requirements

  • Ability to do original and outstanding theoretical/computational research in condensed matter physics, chemistry, applied mathematics, computer science, or a related field;
  • Expertise in computational methods, data analysis, software and algorithm development, modeling, machine learning, high-performance and parallel computing, or scientific simulation;
  • Effective oral and written communication skills;
  • Ability to work well independently as well as in a collaborative team environment.

Compensation and Benefits

  • The full-time annual compensation for this position is $95,000.
  • In addition to competitive salaries, the Simons Foundation provides employees with an outstanding benefits package.

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

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