Computational Chemist
Compular AB / Kemistjobb / Göteborg
2025-10-24
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hela Sverige Visa alla jobb hos Compular AB i Göteborg Compular is building software that lets materials and chemical R&D teams get reliable simulation insights with modern workflows and automated analysis. We run in the cloud and focus on practical impact for scientists.
The role
You'll develop and apply atomistic simulation methods to understand and predict reactive behavior in complex systems. Expect hands-on modeling, method development, and tight feedback with customers and our product team. Your work will land directly in Compular Lab.
What you'll do
Model reactive processes across time/length scales using classical and machine-learned reactive force fields.
Run and improve workflows for mechanism discovery, rare-event sampling, and rate estimation.
Build and benchmark electronic-structure reference data using wavefunction-based methods beyond standard DFT where needed.
Design automated, reproducible pipelines that run robustly in cloud environments.
Collaborate with product engineers to turn methods into usable features and analyses for end users.
Engage with customers to scope studies, interpret results, and translate findings into decisions.
Requirements
PhD in chemistry, chemical engineering, materials science, physics or related fields.
Deep experience with atomistic simulations for reactive systems (e.g., ReaxFF/COMB in LAMMPS/GROMACS).
Proficiency with electronic-structure tools (e.g., ORCA, Gaussian, Abinit) and comfort selecting high-accuracy approaches beyond DFT when required.
Deep knowledge of chemical kinetics and proficiency with tools such as Multiwell or Polyrate.
Strong Python for workflow automation and data analysis; solid software hygiene (version control, testing).
Clear communicator who writes concise reports and can explain trade-offs to non-experts.
Why Compular?
Work on real problems with customers; ship methods into a product scientists actually use.
Small, focused team; low bureaucracy; high ownership.
Modern toolchain and automated analysis by default.
Only candidates located or willing to relocate to Gothenburg will be considered for this role. We offer competitive compensation and pension.
Så ansöker du Sista dag att ansöka är 2025-11-10
E-post:
career@compulartech.com Omfattning Detta är ett heltidsjobb.
Arbetsgivare Compular AB (org.nr 559278-0695)
Vasagatan 5 B (
visa karta)
411 24 GÖTEBORG
Jobbnummer 9573771