Computational Materials Scientist, Atomic Layer Processing and Chemical Reactivity

Schrödinger • Portland, NY

7d

About The Position

Schrödinger is seeking a Computational Materials Scientist to join its Materials Science Modeling Services team. The role supports the company’s mission to improve human health and quality of life through advanced computational methods and helps industrial research and development customers solve problems using Schrödinger’s computational tools. The scientist will conduct simulation-focused research in atomic layer processing and chemical reactivity, with emphasis on materials science problems at the atomic level, surface chemistry, and molecular reactivity. The position involves working with colleagues and cross-functional teams, managing projects with industrial partners, and communicating scientific results to technical and non-technical audiences.

Requirements

• PhD in computational materials science or a related field of chemistry, physics, or engineering.
• Deep expertise running periodic DFT code.
• At least three years of experience modeling surface reactivity, such as gas-surface interactions or mechanisms of thin-film deposition and etch (ALD/CVD).
• Hands-on experience with advanced techniques for computing chemical kinetics, reaction networks, and complex mechanisms.
• Familiarity with semi-empirical methods or Machine Learning Interatomic Potentials and their use for molecular dynamics (MD).
• Proven expertise in launching and analyzing large-scale simulation projects.
• Experience using high-performance computing (HPC) environments and Linux operating systems.
• A proven research track record of publications in computational modeling.

Responsibilities

• Perform simulation-focused research projects using Schrödinger tools.
• Execute and quickly analyze thousands of simulations.
• Collaborate with cross-functional teams to identify and implement atomic simulation solutions for semiconductor and other industries.
• Manage multiple projects efficiently, meet deadlines, and manage stakeholders.
• 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
• 401k
• 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
• Career Level: Senior
• Education Level: Ph.D. or professional degree