Senior Scientist - Computational Materials Science

Eurofins QTA Inc.; Groton (CT); On-site; USD 80,000 - 110,000; Full time

Job summary

An established industry player is seeking a Senior Scientist in Computational Materials Science to utilize advanced computational chemistry and crystallography tools. This role involves predicting solid-state properties of small molecules, collaborating with multidisciplinary teams, and developing novel computational methods. The ideal candidate will have a strong background in coding, experience with various computational tools, and a PhD or relevant Master's degree. Join a forward-thinking company that values innovation and offers comprehensive benefits, including medical, dental, and a 401(k) plan, as well as opportunities for career growth in a supportive environment.

Benefits

Medical insurance

Dental insurance

Vision insurance

Life insurance

Disability insurance

401(k) with match

Paid vacation

Paid holidays

Qualifications

• PhD in relevant field or Master's with 5-10 years experience required.
• Strong coding skills and data analysis capabilities are essential.

Responsibilities

• Apply computational methods to predict molecular properties.
• Conduct crystal structure prediction and free energy calculations.
• Collaborate with teams to define screening and characterization strategies.

Skills

C/C++

Python

Perl

Data analysis

Analytical skills

Mathematics

Education

PhD in Computational Chemistry

Master's with relevant experience

Tools

GROMACS

Gaussian

GAMESS-US

cp2k

Quantum Espresso

VASP

CCDC tools

UNIX/Linux

HPC environments

Job description

Senior Scientist - Computational Materials Science

Eurofins Scientific is an international life sciences company, providing a wide range of analytical testing services to clients across multiple industries, to make life and our environment safer, healthier, and more sustainable. From the food you eat, to the water you drink, to the medicines you rely on, Eurofins laboratories work with major companies worldwide to ensure product safety, authentic ingredients, and accurate labeling.

The Eurofins network is a global leader in food, environment, pharmaceutical, and cosmetic product testing, as well as in genomics, discovery pharmacology, forensics, advanced material sciences, clinical studies support, and emerging areas like Contract Development and Manufacturing Organizations. It has a growing presence in molecular clinical diagnostics and in-vitro diagnostic products.

Founded over 30 years ago in Nantes, France, Eurofins has expanded to 58,000 staff across 900 laboratories in more than 54 countries. The company offers over 200,000 analytical methods to evaluate biological substances and products for safety, authenticity, and quality.

The Computational Materials Science Scientist will utilize advanced computational chemistry and crystallography tools to predict solid-state and particle properties of small molecules, aiding in experimental design and medicine development. The role involves collaboration with multidisciplinary teams and opportunities to develop novel computational methods.

Responsibilities:

1. Apply physics-based computational methods to predict molecular properties and performance.
2. Conduct crystal structure prediction (CSP) and free energy calculations for polymorph stability.
3. Use computational tools like molecular simulations, density functional theory, and others for design and risk mitigation of solid forms.
4. Develop and implement physics/ML-AI computational tools to investigate particle properties and surface performance.
5. Collaborate with project teams to define screening and characterization strategies.
6. Oversee external partners' computational analyses, providing guidance and critical review.
7. Address scientific problems using modern solid-state computational techniques.
8. Lead the development of new scientific approaches within the Material Sciences organization.

Basic Qualifications:

• PhD in Computational Chemistry, Physics, Materials Science, Engineering, or related field; or Master’s with 5-10 years relevant experience.
• Strong coding skills in languages such as C/C++, Python, Perl, with proven data analysis capabilities.
• Experience with UNIX/Linux and HPC environments for job submission and monitoring.

Preferred Qualifications:

• Experience with software like GROMACS, Gaussian, GAMESS-US, cp2k, Quantum Espresso, VASP, and CCDC tools.
• Knowledge of physical chemistry and materials science concepts such as thermodynamics, crystallography, nucleation, and crystal growth.
• Strong analytical and mathematical skills including geometry, algebra, and statistics.

Position is Monday-Friday, 8:00 am - 5:00 pm, with overtime as needed. Candidates residing near Groton, CT are encouraged to apply.

• Comprehensive benefits including medical, dental, vision, life and disability insurance, 401(k) with match, paid vacation and holidays.
• #LI-EB1
• Authorization to work in the U.S. without restrictions or sponsorship.

Eurofins USA PSS Insourcing Solutions is an Equal Employment Opportunity employer, including Disabled and Veteran applicants.