ECT* researchers publish an article in the prestigious journal Reports on Progress in Physics

In collaboration with the National University of Singapore, ECT* researchers Paolo Trevisanutto and Simone Taioli have published a review on “Computational methods for 2D materials modelling”, surveying the recent advances in theoretical modelling and computational algorithms for materials characterised by thickness ranging from a few nanometers to a single atomic layer.

These materials present unprecedented opportunities to investigate new phases of matter constrained to the two-dimensional plane. This review, in particular, aims to discuss the challenges arising in the simulation of the optical, electronic and mechanical properties of 2D materials and highlights the paramount role that computer simulations, in close interaction with experiments, plaid in the discovery of their extraordinary properties, such as high carrier mobility, Dirac cone dispersion and bright exciton luminescence, and to inspire new device design paradigms. Finally, the authors offer their perspective on the future directions of this field.

Link to the article webpage:

https://iopscience.iop.org/article/10.1088/1361-6633/ac2356