Computational Materials Science, Formulations

Sorry, this job was removed at 11:16 p.m. (UTC) on Tuesday, Nov 03, 2026
Be an Early Applicant
Mannheim, Baden-Württemberg, DEU
Hybrid
70K-150K Annually
Entry level
Healthtech • Machine Learning • Software • Biotech • Pharmaceutical
Opening new worlds for molecular discovery
The Role
Conduct molecular simulations and computational modeling projects focused on complex formulations and materials science. Apply coarse-grained molecular dynamics and enhanced sampling, develop Python and shell automation tools, analyze simulation data, and collaborate with internal teams and industrial customers. Present technical findings, support research projects, and contribute to scientific publications using Schrödinger software and high-performance computing environments.
Summary Generated by Built In

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:

Our benefits include local transport reimbursement, a BahnCard 50, our Employee Equity Plan, the EGYM Wellpass (corporate fitness program), bike leasing, an employee volunteer program, our donation match program, access to the corporate benefits platform, a dedicated counseling service, and our travel insurance. When you’re in the office you can profit from our central location, the charging of personal devices with green energy, stocked kitchens with coffee/tea, fruit, snacks, and beverages, and the organization of team-building and social events.

Estimated base salary range: €70k to €150k. 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, or sexual orientation. 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.

Skills Required

  • PhD in Chemistry, Materials Science, Chemical Engineering, or a related field
  • Deep experience with molecular dynamics simulations and applications in materials science
  • Familiarity with coarse-grained simulations, preferably DPD or Martini
  • Familiarity with enhanced sampling techniques
  • Proven expertise in Python scripting with scientific software tools
  • Exposure to high-performance computing environments and Linux operating systems
  • Research track record with publications in computational modeling
  • Hands-on experience with all-atom and coarse-grained simulations of complex formulations
  • Shell scripting and simulation automation experience
  • Strong communication and teamwork skills

Schrödinger, Inc. Compensation & Benefits Highlights

  • Leave & Time Off Breadth — Time off is considered a standout, with over a month of paid vacation and two annual company shutdown weeks highlighted in official materials. This breadth is emphasized alongside a generally strong work-life balance proposition.
  • Parental & Family Support — Family support is portrayed as robust, including paid parental leave, subsidized backup care for children, elders, and pets, and family‑planning resources. These programs are complemented by flexible work arrangements and caregiving resources described in corporate reports.
  • Retirement Support — Retirement benefits are strengthened by a 401(k) plan with an employer match and additional protections like life and disability coverage. Company disclosures and third‑party summaries indicate these elements are core parts of the total rewards package.

Schrödinger, Inc. Insights

Similar Jobs

Schrödinger, Inc. Logo Schrödinger, Inc.

Computational Materials Science, Formulations

Healthtech • Machine Learning • Software • Biotech • Pharmaceutical
Hybrid
3 Locations
885 Employees
105K-235K Annually

Schrödinger, Inc. Logo Schrödinger, Inc.

Global Portfolio Leader, Electronics

Healthtech • Machine Learning • Software • Biotech • Pharmaceutical
Remote or Hybrid
3 Locations
885 Employees

Schrödinger, Inc. Logo Schrödinger, Inc.

Account Manager

Healthtech • Machine Learning • Software • Biotech • Pharmaceutical
Hybrid
2 Locations
885 Employees

Schrödinger, Inc. Logo Schrödinger, Inc.

Strategic Deployment Manager, Life Science

Healthtech • Machine Learning • Software • Biotech • Pharmaceutical
Remote or Hybrid
4 Locations
885 Employees
Get Personalized Job Insights.
Our AI-powered fit analysis compares your resume with a job listing so you know if your skills & experience align.

The Company
HQ: New York, NY
885 Employees
Year Founded: 1990

What We Do

Schrödinger is a leading provider of advanced molecular simulations and enterprise software solutions and services for pharmaceutical, biotechnology, and materials science research. The predictive power of Schrödinger's software allows scientists to accelerate their research and development, reduce research costs, and make novel discoveries.

Why Work With Us

We have a mission-driven culture that thrives off team collaboration. By utilizing a non-hierarchal approach, we hope to give all employees a voice and room to grow to their fullest potential. We actively engage in diversity and inclusion efforts, pay fairly, and always strive to provide a supportive atmosphere for our teams.

Gallery

Gallery

Schrödinger, Inc. Offices

Hybrid Workspace

Employees engage in a combination of remote and on-site work.

Typical time on-site: 2 days a week
HQNew York Office
KR
Bangalore Office
Boston Office
Hyderabad Office
Mannheim Office
Munich Office
Portland Office
San Diego Office
Tokyo Office
Learn more

Sign up now Access later

Create Free Account

Please log in or sign up to report this job.

Create Free Account