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Computational Materials Scientist, Atomic Layer Processing and Chemical Reactivity

Schrödinger

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Schrödinger seeks a Computational Materials Scientist in Atomic Layer Processing and Chemical Reactivity to join us in our mission to improve human health and quality of life through the development, distribution, and application of advanced computational methods.

As a member of our Materials Science Modeling Services team, you’ll work closely with colleagues to help customers benefit from our computational tools in solving problems in industrial research and development.

Who will love this job:

  • A computational chemistry expert who has had hands-on experience with studying real-world materials science problems at the atomic level, especially with periodic density functional theory (DFT)
  • A scientist who has engaged with research questions in surface chemistry and molecular reactivity
  • An excellent communicator and team player who can translate complex scientific concepts for both technical and non-technical stakeholders
  • A detail-oriented scientist eager to work on diverse projects with industrial partners
  • An innovative and creative thinker who experiments with new tools and techniques 

What you’ll do:

  • Perform simulations-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
  • Efficiently run multiple projects, meet deadlines and manage stakeholders
  • Present technical results in internal and external meetings
  • Contribute to scientific publications and research projects

What you should have:

  • PhD in computational materials science, or in related fields of chemistry, physics or engineering
  • Evidence of deep level of expertise running periodic DFT code
  • At least three years of experience modeling surface reactivity, such as gas-surface interactions or the mechanism 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, along with their use for molecular dynamics (MD)
  • Proven expertise in launching and analyzing large scale simulation projects
  • Use of high-performance computing (HPC) environments and Linux operating systems
  • Proven research track record of publications in the computational modeling field
 
Pay and perks:
Schrödinger understands it’s people that make a company great. Because of this, we’re prepared to offer a competitive salary, equity-based compensation, and a wide range of benefits that include healthcare (with dental and vision), a 401k, pre-tax commuter benefits, a flexible work schedule, and a parental leave program. We have a company culture that is relaxed, but engaged, and over a month of paid vacation time.  Our Office Management team also plans a myriad of fun company-wide events. New York is home to our largest office, but we have teams all over the world. Schrödinger is honored to have been included in Crain's New York Best Places to Work, BuiltIn's NYC Best Place to Work, and Newsweek's list of America's 100 Most Loved Workplaces. 
 
Estimated base salary range: US: $105,000 - $235,000. Actual compensation package is dependent on a number of factors, including, for example, experience, education, degrees held, market data, and business needs. If you have any questions regarding the compensation for this role, do not hesitate to reach out to a member of our Strategic Growth team.
 
Sound exciting? Apply today and join us!
 
As an equal opportunity employer, Schrödinger hires outstanding individuals into every position in the company. People who work with us have a high degree of engagement, a commitment to working effectively in teams, and a passion for the company's mission. We place the highest value on creating a safe environment where our employees can grow and contribute, and refuse to discriminate on the basis of race, color, religious belief, sex, age, disability, national origin, alienage or citizenship status, marital status, partnership status, caregiver status, sexual and reproductive health decisions, gender identity or expression, sexual orientation, or any other protected characteristic. To us, "diversity" isn't just a buzzword, but an important element of our core principles and key business practices. We believe that diverse companies innovate better and think more creatively than homogenous ones because they take into account a wide range of viewpoints. For us, greater diversity doesn't mean better headlines or public images - it means increased adaptability and profitability.

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Listed on greenhouse · posted 2026-10-29. ApplySarthi collects openings and links to application pages; the role is advertised by Schrödinger, not by us.