Postdoctoral Investigator – Relativistic Quantum Chemistry and Nonadiabatic Dynamics

whoi· Woods Hole Oceanographic Institution
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📍 Onsite – Woods Hole, MAFull time💰 USD 68K–75K
Full timeWoods Hole Oceanographic Institution

About this role

Job Summary

Job Description

A Postdoctoral Investigator (PDI) position is available in the Marine Chemistry & Geochemistry (MC&G) Department at the Woods Hole Oceanographic Institution (WHOI). This postdoctoral position focus is in computational and theoretical chemistry to develop and implement relativistic multireference electronic-structure and nonadiabatic molecular dynamics methods for spin-forbidden chemical reactions. The project will focus on hyperfine-coupling-driven reactivity, radical-pair dynamics, and magnetic isotope effects in heavy-element-containing molecules.

The successful candidate will work on method development and implementation in the open source software packages **OpenMolcas** and **SHARC**. Research objectives include extending Exact Two-Component relativistic hyperfine coupling methods in OpenMolcas to multiple excited states and spin multiplicities, developing matrix elements of the total hyperfine coupling operator, and incorporating hyperfine coupling into long-time-scale nonadiabatic molecular dynamics simulations.

The developed methods will be applied to magnetic isotope effects in photochemical reactions of small mercury-containing molecules, with broader relevance to spin-forbidden reactions, environmental chemistry, computational photochemistry, and magnetic-field effects in chemical and biological systems.

The position offers training in advanced computational photochemistry, relativistic electronic structure theory, open-source software development, and nonadiabatic molecular dynamics. The postdoctoral researcher will contribute to publications, software development, conference presentations, and mentoring of graduate and undergraduate researchers.

Essential Functions & Duties

  • Familiarity with OpenMolcas and CASSCF

  • Programming experience in Fortran, Python, C/C++, or related languages is preferred.

  • Supervise and mentor students, interns, and research assistants involved in field and laboratory work.

  • Prepare and publish findings in peer-reviewed scientific journals and present research at national and international conferences.

Required Experience & Education

  • PhD in Chemistry or related field.

  • Experience in computational and theoretical chemistry.

  • Excellent written and oral communication skills, with the ability to work both independently and collaboratively in an interdisciplinary research environment.

Preferred Experience & Education

  • Experience in relativistic quantum chemistry

  • Experience in code development

Additional Job Requirements

Salary Range: $68,381-$75,498

The salary range provided for this position reflects the expected minimum and maximum base pay for new hires. Actual compensation will be determined based on factors such as relevant skills, experience, and qualifications, as well as internal equity and market conditions. In addition to base salary, eligible employees also receive a comprehensive benefits package. 

Application Materials

Applicants should submit: 1) A cover letter describing research interests and relevant experience; 2) Curriculum vitae; and 3) Contact information for three references.

WHOI accepts applications on a rolling basis - applications will be reviewed as they are received, and we encourage you to submit your application as soon as possible to ensure full consideration. While we will continue to review applications until the position is filled, and early applicants may have an advantage in the selection process.

EEO Statement

Woods Hole Oceanographic Institution (WHOI) provides equal employment opportunities to all employees and applicants for employment and prohibits discrimination and harassment of any type without regard to race, color, religion, age, sex, national origin, disability status, genetics, protected veteran status, sexual orientation, gender identity or expression, or any other characteristic protected by federal, state or local laws. 

It is unlawful in Massachusetts to require or administer a lie detector test as a condition of employment or continued employment. An employer who violates this law shall be subject to criminal penalties and civil liability.

Frequently Asked Questions

What is the salary for the Postdoctoral Investigator – Relativistic Quantum Chemistry and Nonadiabatic Dynamics role at whoi?
The listed salary for this Postdoctoral Investigator – Relativistic Quantum Chemistry and Nonadiabatic Dynamics position at whoi is USD 68K–75K. This is an Full time role.
Where is the Postdoctoral Investigator – Relativistic Quantum Chemistry and Nonadiabatic Dynamics position at whoi located?
This Postdoctoral Investigator – Relativistic Quantum Chemistry and Nonadiabatic Dynamics role at whoi is based in Onsite – Woods Hole, MA. The position is listed as on-site or hybrid. Check the full job description or apply directly to confirm the work arrangement.
Is the Postdoctoral Investigator – Relativistic Quantum Chemistry and Nonadiabatic Dynamics role at whoi full-time or part-time?
This is listed as a Full time position. It is posted as a Postdoctoral Investigator – Relativistic Quantum Chemistry and Nonadiabatic Dynamics role in the Woods Hole Oceanographic Institution department at whoi.
Which team or department does the Postdoctoral Investigator – Relativistic Quantum Chemistry and Nonadiabatic Dynamics at whoi belong to?
This Postdoctoral Investigator – Relativistic Quantum Chemistry and Nonadiabatic Dynamics position is part of the Woods Hole Oceanographic Institution department at whoi. See the full job description for more information about the team structure and responsibilities.
How do I apply for the Postdoctoral Investigator – Relativistic Quantum Chemistry and Nonadiabatic Dynamics position at whoi?
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Postdoctoral Investigator – Relativistic Quantum Chemistry and Nonadiabatic Dynamics
whoi · 💰 USD 68K–75K
Apply for this role ↗

You'll be redirected to whoi's official application page on Workday.