Postdoctoral Research Fellow, Computational Materials Science

Position Overview

The lab led by Professor Avik Mahata in the School of Engineering and Computational Sciences has an opening for a postdoctoral research fellow in computational materials design. This lab focuses on the application of artificial intelligence to the development of advanced materials for future technological applications. More information about Professor Mahata’s research can be found at: https://www.merrimack.edu/profiles/avik-mahata/.

Current openings in areas of Professor Mahata’s research:

Machine Learning in Atomistic Simulation

Computational Modelling of High Entropy Alloy

Atomistic Simulation of 2D Materials

Large Scale Atomistic Simulation of Solidification of Metallic Materials

Qualifications:

• Doctoral degree in Materials Science, Physics, Chemistry or related disciplines. Graduate students near completion of their PhD program are also welcome to apply.

• Successful candidates will have expertise in atomistic and mesoscale simulations

• An excellent grasp of software development fundamentals and test-driven development practices

• Advanced knowledge of Python programming

• Experience in CUDA/C and High Performance Computing

• Proven experience in VASP, Quantum Espresso, FHI-AIMS, or other ab-initio code

• Ability to write clear, maintainable, and highly organized object-oriented code

• Expertise in ANSYS or ABAQUS is also welcome

• Deep understanding of thermodynamics and kinetics of materials, solid-state physics, crystallography

• Some experience in 2D Van der Waals materials

• Experience in Machine Learning

• Molecular dynamics programming experience

• Python programming proficiency

• Experience with machine learning libraries such as PyTorch

• Some knowledge of phase field or finite element modeling is also desirable

• Strong verbal/written communication skills are essential

Application Materials Should Include:

• Cover letter stating motivation and interest in the position, citing experience relevant to the qualifications and including experience with, and commitment to, our Catholic Augustinian mission, and our values.

• A detailed Curriculum Vitae including a list of publications.

• Names and contact information for three (3) professional references.

This position is subject to the successful completion of a criminal background check.

Statement on Our Mission

Merrimack College seeks candidates who understand, respect, and can contribute to Merrimack’s Catholic and Augustinian mission. All candidates should describe in their application how they will foster a culture that supports our mission.

About Merrimack College

The only Catholic, Augustinian institution of higher education in New England, Merrimack College is a private, independent, coeducational institution with more than 4,100 undergraduate, 2,500 graduate students and 50 doctoral students from 48 states and 63 countries. The College features more than 160 career-focused undergraduate, professional and graduate programs, all taught by exceptional faculty who are passionate about their subject and student success. The College has six schools: arts and sciences, engineering and computational sciences, nursing and health sciences, education and social policy, the Girard school of business and the graduate school of counseling and social work. The College’s suburban 220-acre campus is just north of Boston in North Andover, Massachusetts. Merrimack is a Master’s Colleges and Universities/Larger Programs (M1) institution in the Carnegie Classification of Institutions of Higher Education. Merrimack is one of the fastest growing educational institutions in the country and has steadily climbed up in the U.S. News & World Report’s ranking of Best Colleges, ranking 38th in the Regional Universities North category in 2026. Merrimack is a NCAA Division I athletic institution.