Computational Scientist: Continuum & Multiscale Modeling of Materials
Full Time
,
Søborg, Denmark
About Us
We are a pioneering materials discovery company headquartered in Copenhagen, Denmark. Our mission is to accelerate the design and discovery of advanced, sustainable materials by leveraging cutting-edge simulation tools and self-driving labs.
We are dedicated to bridging the gap between scientific breakthroughs and practical, real-world applications. Join our dynamic, international, and diverse team where collaboration and innovation are at the heart of innovating for a sustainable future, one material at a time.
Role Overview
We are seeking an ambitious Computational Scientist to strengthen our continuum-scale modeling capabilities and help connect the physics happening at the microstructure level to the properties that matter in the real world.
This is a high-impact role embedded in PhaseTree's Science team. You will develop, apply, and extend continuum-scale simulation methods such as phase field modeling, computational fluid dynamics, cellular automata, and crystal plasticity to accelerate the design of advanced materials. Your work will feed directly into our core materials design pipeline and will be integrated with atomistic and AI-driven approaches to close the loop from electrons to engineering parts.
Key Responsibilities
Develop and apply continuum-scale models to simulate microstructure evolution, solidification, and thermo-mechanical behavior of materials.
Build multiscale frameworks that bridge length and time scales, linking continuum models to atomistic inputs from methods such as cluster expansion (CE), Monte Carlo (MC), molecular dynamics (MD), or density functional theory (DFT).
Collaborate closely with a multidisciplinary team of AI scientists, materials scientists, and scientific software developers to integrate simulation outputs into PhaseTree's discovery platform.
Contribute to software by translating physics models into robust, scalable, and production-ready simulation modules on HPC infrastructure.
Explore the frontier by identifying opportunities to couple physics-based models with machine learning surrogates to dramatically accelerate simulation-driven materials design.
Qualifications
Required Skills:
Continuum Modeling Expertise: Hands-on experience with one or more of the following: phase field modeling, computational fluid dynamics, cellular automata, or crystal plasticity simulations.
Materials Focus: Experience applying these methods to real materials systems, including solidification, microstructure evolution, solid-state phase transformations, deformation, and related phenomena.
Scientific Rigor: Ability to translate physical phenomena into well-posed mathematical models and validate them against experimental or reference data.
Collaboration: Eagerness to work in a multidisciplinary team with both scientists and non-specialists.
Preferred Skills:
These qualifications are a strong plus, demonstrating your readiness for the role:
Advanced Degree: Ph.D. in Materials Science, Physics, Mechanical Engineering, Chemical Engineering, or a related field.
Metal Alloys: Experience modeling metal alloy systems, including solidification microstructures, solid-state phase transformations, deformation textures, and corrosion.
Multiscale Methods: Demonstrated experience coupling continuum models to lower-length-scale inputs (CE, MC, MD, DFT), or building hierarchical multiscale frameworks.
Atomistic Methods: Familiarity with DFT, MD, or Monte Carlo simulations, particularly where these inform continuum-scale parameters or boundary conditions.
Physics-Informed ML: Experience building or using physics-informed machine learning surrogates for accelerating simulations.
Programming & HPC: Scripting and programming skills (e.g. Python, C/C++, or Fortran) and experience running or automating simulations on High-Performance Computing (HPC) clusters. Candidates who can flex between using the methods and contributing to software development are particularly valued.
What We Offer
High-Growth Environment: A unique opportunity to be part of one of the most promising start-ups in materials discovery on an ambitious path to achieve unicorn status.
Impactful Mission: Involvement in solving some of the world’s most complex challenges, directly supporting a greener and more sustainable future.
Financial Upside: Possibility to enter our warrant program at an early stage.
Culture: A welcoming, diverse, and entrepreneurial workplace located in vibrant Copenhagen, Denmark.
Work Style: A vibrant atmosphere with a flat hierarchy, open collaboration, and active idea-sharing.
Fuel: Free coffee, snacks, and even a massage chair to power your creative energy! 😉
