Research Strategy

We model structure formation in materials from the atomic scale to the macroscale.

The goal of our research is to unravel emergent natural phenomena and contribute to the development of functional materials.

Our research tools include simulation, statistical thermodynamics, discrete geometry, crystallography, data science, machine learning, and high-performance computing.

Research Topics

Our current projects are organized around four connected areas:

Nanomaterials Design
– Nanoparticle habits
– Lattice strain engineering
– Heterogeneous catalysis
– Clathrate hydrates

Colloidal Soft Matter
– Nanocrystal self-assembly
– Magic number clusters
– Macromolecular ligands
– Geometric frustration

Crystallization Processes
– Crystal structure discovery
– Diffraction modelling
– Aperiodic crystals
– Multistep nucleation

Coarse-Graining
– Non-reversible sampling
– Anisotropic particles
– Entropic forces
– Active chiral matter