Atomistic-continuum simulation of 2D material mechanics
Atomistic simulations generate large amounts of numerical data. Can we interpret these numbers through the framework of continuum mechanics, which embeds physical laws? Or, can we use insights from atomistic simulations to develop improved continuum models?
Machine learning for multi-physics and multi-scale 2D material simulation
What if a graph neural network could simultaneously learn both the interatomic potentials and the electronic states of materials?
Statistical mechanics of 2D material
2D materials are the thinnest materials known in the world. But should their statistical mechanics behave the same way as in bulk materials?