Computational Materials Science, Formulations

Schrödinger • Portland, NY

7d

About The Position

Schrödinger is seeking a Computational Materials Scientist in Formulations to join its Materials Science Modeling Services team. The role works closely with the team to help customers apply Schrödinger’s computational tools to industrial research and development. The scientist will perform molecular-simulation projects using Schrödinger tools, solve formulation problems through large-scale coarse-grained molecular dynamics and enhanced sampling, and develop scripts for simulation automation and data analysis. The position also involves collaborating across teams and industries, presenting technical results, and contributing to publications and research projects.

Requirements

• PhD in Chemistry, Materials Science, Chemical Engineering, or a related field.
• Deep background in molecular dynamics (MD) simulations and their applications in materials science.
• Familiarity with coarse-grained simulation, such as DPD or Martini, and enhanced sampling techniques.
• Proven expertise in Python scripting, particularly in conjunction with scientific software tools.
• Exposure to high-performance computing (HPC) environments and Linux operating systems.
• Proven research track record of publications in the computational modeling field.

Nice To Haves

• Hands-on experience with real-world molecular and materials science problems, especially all-atom and coarse-grained simulations of complex formulations.
• Experience prototyping simulation tools, integrating computational chemistry software, and automating high-throughput simulations.
• Excellent communication and teamwork skills, including the ability to explain complex scientific concepts to technical and non-technical stakeholders.
• Detail-oriented approach and interest in working on diverse projects with industrial partners.
• Coarse-grained DPD or Martini simulation experience is preferred.

Responsibilities

• Perform molecular simulation-focused projects using Schrödinger tools and meet project deadlines.
• Solve formulation problems using large-scale simulations with coarse-grained molecular dynamics and enhanced sampling techniques.
• Develop and apply Python and shell scripts for simulation automation and data analysis.
• Collaborate with cross-functional teams to identify and implement molecular modeling solutions for various industries.
• Present technical results in internal and external meetings.
• Contribute to scientific publications and research projects.

Benefits

• Competitive salary.
• Equity-based compensation.
• Healthcare, including dental and vision.
• 401(k).
• Pre-tax commuter benefits.
• Flexible work schedule.
• Parental leave program.
• Over a month of paid vacation time.
• Company-wide events.

What This Job Offers

• Job Type: Full-time
• Education Level: Ph.D. or professional degree