Computational Materials Science, Formulations
Schrödinger
New York
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
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