Computational Materials Science, Formulations

Schrödinger; Portland (OR); On-site; USD 105,000 - 235,000; Full time

Benefits offered by this job

Healthcare (dental and vision)

401k

Pre-tax commuter benefits

Flexible work schedule

Parental leave

Paid vacation time

Office-wide events

Job summary

Schrödinger seeks a Computational Materials Scientist in Formulations to join our Materials Science Modeling Services team in the US. You will apply MD and coarse-grained simulations to industrial formulations, prototyping tools, and automating high-throughput workflows.

You will collaborate with cross-functional teams, present results, and contribute to publications. A PhD in a related field and strong Python/Shell scripting, plus HPC/Linux experience, are expected.

Qualifications

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

Responsibilities

• Perform molecular simulations-focused projects using Schrödinger tools and meet project deadlines.
• Solve formulation problems with large-scale simulations using coarse-grained MD 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.

Skills

Molecular dynamics (MD)

Python scripting

Shell scripting

High-performance computing

Communication

Education

PhD in Chemistry, Materials Science, or Chemical Engineering

Tools

Schrödinger tools

Python

Linux

Job description

Computational Materials Science, Formulations

New York; Portland

Schrödinger seeks a Computational Materials Scientist in Formulations to join us in our mission to transform the discovery of therapeutics and materials!

As a member of our Materials Science Modeling Services team, you’ll work closely with our group to help customers apply our computational tools to industrial research and development.

Who will love this job:

• A computational chemistry expert who’s had hands‑on experience with real‑world molecular and materials science problems, especially with all-atom and coarse‑grained simulations of complex formulations
• A skilled Python and shell scripter who enjoys prototyping simulation tools, integrating computational chemistry software, and automating high-throughput simulations
• 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

What you’ll do:

• Perform molecular simulations-focused projects using Schrödinger tools and meet project deadlines
• Solve formulation problems with large scale simulations using coarse‑grained MD 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

What you should have:

• PhD in Chemistry, Materials Science, Chemical Engineering, or a related field
• Deep background in molecular dynamics (MD) simulations and its applications in materials science
• Familiarity with coarse-grained simulation (DPD or Martini preferred) 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

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
• a parental leave program
• 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: $105,000 to $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.

Please note that we require all US-based employees to be fully vaccinated against COVID-19. Newly-hired employees must receive vaccinations prior to their start date. As an equal opportunity employer, Schrödinger will provide a reasonable accommodation to those unable to be vaccinated where and when it is not an undue hardship for the company to do so, as provided under federal, state, and local law.

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.

As set forth in Schrödinger’s Equal Employment Opportunity policy,we do not discriminate on the basis of any protected group status under any applicable law.

If you believe you belong to any of the categories of protected veterans listed below, please indicate by making the appropriate selection.As a government contractor subject to the Vietnam Era Veterans Readjustment Assistance Act (VEVRAA), we request this information in order to measurethe effectiveness of the outreach and positive recruitment efforts we undertake pursuant to VEVRAA. Classification of protected categoriesis as follows:

A "disabled veteran" is one of the following: a veteran of the U.S. military, ground, naval or air service who is entitled to compensation (or who but for the receipt of military retired pay would be entitled to compensation) under laws administered by the Secretary of Veterans Affairs; or a person who was discharged or released from active duty because of a service-connected disability.

A "recently separated veteran" means any veteran during the three-year period beginning on the date of such veteran's discharge or release from active duty in the U.S. military, ground, naval, or air service.

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