{"id":3259048,"url":"https://alion.io/job/ashland-computational-chemist","title":"Computational Chemist","company":{"id":2193821,"name":"Ashland","domain":"ashland.com","url":"https://alion.io/company/ashland-com","size_band":"1001-5000","is_staffing_agency":false,"employer_type":"direct","is_intermediary":false,"listed_via":null,"ats_vendor":"Workday","truth_index":{"grade":"B","score":75,"open_postings":12,"ghost_share":0,"stale_share":1,"repost_share":0,"time_to_fill_p50_days":33,"computed_at":"2026-11-05T05:54:30Z"}},"role":"Biotech","role_family":"Biotech","seniority":null,"employment_type":"full_time","work_mode":"on_site","remote_scope":null,"remote_scope_basis":null,"remote_working_hours":null,"hiring_geo_confidence":"explicit","locations":["Bridgewater Township, United States"],"countries":["US"],"hiring_countries":[],"hiring_countries_total":0,"salary":null,"salary_estimate":{"min_usd":105000,"max_usd":241000,"period":"year","method":"role_country_seniority_unknown","sample_n":1243},"experience_years_min":null,"visa_sponsorship":false,"relocation_package":false,"has_equity":false,"technologies":[{"name":"HPC","optional":false},{"name":"Linux","optional":false},{"name":"Machine Learning","optional":false},{"name":"Python","optional":false},{"name":"SLURM","optional":false}],"status":"live","first_seen_at":"2026-10-13T00:00:00Z","employer_posted_date":"2026-10-13","last_verified_at":"2026-11-05T16:49:39Z","board_verified":true,"closed_at":null,"days_open":23,"trust":{"level":"ok","repost_count":null,"flags":[],"days_open":23},"description":"Ashland Specialty Ingredients, GPAre you the kind of person that is always thinking, sketching, seeking, and adjusting? Who needs to understand how things work and then figure out how they can work better? Are you a passionate, tenacious, solver who loves to work with others who share your drive? Are you positive, constructive, and ingenious?\nAre you always solving?\nThen we’d like to meet you and bet you’d like to meet us.\nAshland has an exciting opportunity for a Computational Chemist to join our Applied Research Group, in Bridgewater, NJ. This is a very visible, significant role within the company supports global R&D, including several new technologies, with physics-based modeling and data-driven methods. This position will report to the Open Innovation Leader.\nThe responsibilities of the position include, but are not limited to, the following:\nDesign, execute, and analyze molecular simulation to study complex molecular systems and their behaviors relevant to Ashland’s product portfolio.\nDevelop AI and machine predictive models\nDevelop, optimize, and automate simulation workflows and analysis protocols.\nGrow organizational molecular simulation, AI, and machine learning capabilities, develop models, curate datasets, and support adoption of digital tools across R&D teams.\nCollaborate closely with scientists and cross-functional project teams to translate computational insights into product design recommendations and experimental hypothesis\nPresent technical findings, modeling outputs, and recommendations to internal and external audiences, including leadership, project teams, and vendors.\nPrepare clear, well written technical reports, summaries, and documentation, ensuring reproducibility and transparency of computational work.\nManage multiple projects, estimate timelines and resources, and coordinate efforts to meet timelines.\nWork closely with other R&D sites and technical support teams to solve complex scientific and computational challenges, optimize modeling performance, and align strategic digital initiatives.\nEnsure compliance with company procedures, data governance, safety programs, and responsible AI practices, maintaining high standards of scientific integrity and operational excellence.\nActively contribute to the organizational goals by taking initiative, executing on goals and focusing on performance and safety\nImprove the organization capacity and capabilities through building collaborative relationships, optimizing diverse talent and utilizing positive communications and influence with others\nIn order to be qualified for this role, you must possess the following:\nPhD in chemistry or a closely related field (e.g., organic chemistry, physical chemistry, chemical engineering, or biochemistry).\nMust be authorized to work in the US.\nExperience using modern computational chemistry and molecular simulation methods, such as quantum mechanics (QM) and molecular dynamics (MD).\nStrong Python skills and experience with the scientific computing ecosystem\nDeep understanding of physical chemistry principles\nDemonstrated record of successful scientific achievements\nProven ability to work effectively in a collaborative, cross-disciplinary team environment\nAbility to travel within United States and overseas as needed for project support\nDemonstrated responsible and ethical behavior at all times\nThe ability to help the company drive greater value through understanding the business, making complex decisions and creating the new and different\nThe following skill sets are preferred by the business unit:\nPhD in computational chemistry\nExperience in chemical applications of AI, machine learning, and cheminformatics, including usage of RDKit, molecular graphs, and model validation.\nExperience working on GPU enabled Linux/HPC systems, including job scheduling (e.g., SLURM)\nFamiliar with organic chemistry principles\nKnowledge about polymer chemistry and characterization\nExperience using coarse-grained simulation methods\nExperience in parameterization for molecular dynamics simulations\nIn more than 100 countries, the people of Ashland LLC. (NYSE: ASH) provide the specialty chemicals, technologies and insights to help customers create new and improved products for today and sustainable solutions for tomorrow. Our chemistry is at work every day in a wide variety of markets and applications, including architectural coatings, automotive, construction, energy, personal care and pharmaceutical. Visit www.ashland.com to see the innovations we offer.\nAt Ashland our vision is to be a leading, global specialty chemicals company whose inspired and engaged employees add value to all we touch. In fact our people, employees, customers and vendors define who we are. They are the driving force behind everything we do.\nNot only do we value our customers but we value our employees, and we work to offer them a dynamic and challenging environment. We hold ourselves to high standards at Ashland, and we value integrity and honesty.\nAshland has a history of attracting the best people and keeping them. The reasons are simple: industry competitive salary and benefits, pay-for-performance incentive plans and a diverse work environment where employees feel challenged and valued. People come to Ashland and stay. As a growing Fortune 500 specialty chemicals company, we offer opportunities for development and advancement throughout our global organization. Our values define who we are and what we care about as a company. If you are looking for a relationship with a company instead of simply a job, this may be a great fit.\nAshland is proud to be an Equal Opportunity Employer Minorities/Women/Veterans/Disabled/GenderIdentity/Sexual Orientation.\nAll qualified applicants will receive consideration for employment without regard to race, color, religion, sex, gender identity, sexual orientation, national origin, or protected veteran status and will not be discriminated against on the basis of disability. 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