{"id":3496487,"url":"https://alion.io/job/schrodinger-computational-materials-science-formulations","title":"Computational Materials Science, Formulations","company":{"id":48218,"name":"Schrodinger","domain":"schrodinger.com","url":"https://alion.io/company/schrodinger","size_band":"501-1000","is_staffing_agency":false,"employer_type":"direct","is_intermediary":false,"listed_via":null,"ats_vendor":"Greenhouse","truth_index":{"grade":"B","score":80,"open_postings":13,"ghost_share":0,"stale_share":0.615,"repost_share":0,"time_to_fill_p50_days":62,"computed_at":"2026-11-04T06:34:25Z"}},"role":"Science & Research","role_family":"Science & Research","seniority":null,"employment_type":null,"work_mode":"on_site","remote_scope":null,"remote_scope_basis":null,"remote_working_hours":null,"hiring_geo_confidence":"structured","locations":["New York, United States","Portland, United States","Mannheim, Germany"],"countries":["US","DE"],"hiring_countries":[],"hiring_countries_total":0,"salary":{"min":105000,"max":235000,"currency":"USD","period":"year","gross":null,"usd_annual":235000},"salary_estimate":null,"experience_years_min":null,"visa_sponsorship":false,"relocation_package":false,"has_equity":false,"technologies":[{"name":"HPC","optional":false},{"name":"Linux","optional":false},{"name":"Python","optional":false}],"status":"live","first_seen_at":"2026-10-29T22:34:36Z","employer_posted_date":"2026-10-29","last_verified_at":"2026-11-04T07:48:06Z","board_verified":true,"closed_at":null,"days_open":5,"trust":{"level":"ok","repost_count":null,"flags":[],"days_open":5},"description":"Schrödinger seeks a Computational Materials Scientist in Formulations to join us in our mission to transform the discovery of therapeutics and materials!\nAs 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.\nWho will love this job:\nA 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\nA skilled Python and shell scripter who enjoys prototyping simulation tools, integrating computational chemistry software, and automating high-throughput simulations\nAn excellent communicator and team player who can translate complex scientific concepts for both technical and non-technical stakeholders\nA detail-oriented scientist eager to work on diverse projects with industrial partners\nWhat you’ll do:\nPerform molecular simulations-focused projects using Schrödinger tools and meet project deadlines\nSolve formulation problems with large scale simulations using coarse-grained MD and enhanced sampling techniques\nDevelop and apply Python and shell scripts for simulation automation and data analysis\nCollaborate with cross-functional teams to identify and implement molecular modeling solutions for various industries\nPresent technical results in internal and external meetings\nContribute to scientific publications and research projects\nWhat you should have:\nPhD in Chemistry, Materials Science, Chemical Engineering, or a related field\nDeep background in molecular dynamics (MD) simulations and its applications in materials science\nFamiliarity with coarse-grained simulation (DPD or Martini preferred) and enhanced sampling techniques\nProven expertise in Python scripting, particularly in conjunction with scientific software tools\nExposure to high-performance computing (HPC) environments and Linux operating systems\nProven research track record of publications in the computational modeling field\nPay and perks:\nSchrödinger 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. \nEstimated 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.\nSound exciting? Apply today and join us!\nAs 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. 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