News
People
Members
Memory Lane
Publications
Research
Teaching
Outreach
Join
PostDoc Opportunities
PhD Opportunities
Contact Us
Less may be more: an informed reflection on molecular descriptors for drug design and discovery
Harnessing machine learning potentials to understand the functional properties of phase-change materials
Enhancement of macromolecular ice recrystallization inhibition activity by exploiting depletion forces
Promoting transparency and reproducibility in enhanced molecular simulations
High and low density patches in simulated liquid water
Priming Effects in the Crystallization of the Phase Change Compound GeTe from Atomistic Simulations
Unravelling the Origins of Ice Nucleation on Organic Crystals
Heterogeneous seeded molecular dynamics as a tool to probe the ice nucleating ability of crystalline surfaces
Understanding the thermal properties of amorphous solids using machine-learning-based interatomic potentials
Pre-critical fluctuations and what they disclose about heterogeneous crystal nucleation
1
2
3
4