Computational Materials Scientist, Atomic Layer Processing and Chemical Reactivity

Schrödinger; New York, Portland (NY, ME); 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

Job summary

Schrödinger seeks a Computational Materials Scientist in Atomic Layer Processing and Chemical Reactivity to advance industrial R&D with advanced computational methods.

You will execute thousands of simulations, collaborate with cross-functional teams, and manage multiple projects while delivering results and contributing to publications.

Qualifications

• PhD in computational materials science or related field.
• Evidence of deep expertise running periodic DFT code.
• 3+ years modeling surface reactivity (gas-surface interactions or ALD/CVD).
• Hands-on experience with computing chemical kinetics, reaction networks, and complex mechanisms.
• Familiarity with ML interatomic potentials for MD simulations.

Responsibilities

• 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.

Skills

DFT methods

Surface chemistry

Molecular dynamics

HPC environments

Linux

Education

PhD in computational materials science

Tools

Periodic DFT codes

Job description

Computational Materials Scientist, Atomic Layer Processing and Chemical Reactivity

New York; Portland

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:

• 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.

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.

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.

An "active duty wartime or campaign badge veteran" means a veteran who served on active duty in the U.S. military, ground, naval or air service during a war, or in a campaign or expedition for which a campaign badge has been authorized under the laws administered by the Department of Defense.

An "Armed forces service medal veteran" means a veteran who, while serving on active duty in the U.S. military, ground, naval or air service, participated in a United States military operation for which an Armed Forces service medal was awarded pursuant to Executive Order 12985.