Graph neural networks for materials science and chemistry
Abstract Machine learning plays an increasingly important role in many areas of chemistry
and materials science, being used to predict materials properties, accelerate simulations …
and materials science, being used to predict materials properties, accelerate simulations …
Ten years of progress in the synthesis and development of MXenes
Since their discovery in 2011, the number of 2D transition metal carbides and nitrides
(MXenes) has steadily increased. Currently more than 40 MXene compositions exist. The …
(MXenes) has steadily increased. Currently more than 40 MXene compositions exist. The …
Recent progress of the computational 2D materials database (C2DB)
Abstract The Computational 2D Materials Database (C2DB) is a highly curated open
database organising a wealth of computed properties for more than 4000 atomically thin two …
database organising a wealth of computed properties for more than 4000 atomically thin two …
Two-dimensional MXenes: From morphological to optical, electric, and magnetic properties and applications
MXenes, generally referring to two-dimensional (2D) transition-metal carbides, nitrides, and
carbonitrides, have received tremendous attention since the first report in 2011. Extensive …
carbonitrides, have received tremendous attention since the first report in 2011. Extensive …
VASPKIT: A user-friendly interface facilitating high-throughput computing and analysis using VASP code
We present the VASPKIT, a command-line program that aims at providing a robust and user-
friendly interface to perform high-throughput analysis of a variety of material properties from …
friendly interface to perform high-throughput analysis of a variety of material properties from …
The performance limits of hexagonal boron nitride as an insulator for scaled CMOS devices based on two-dimensional materials
Complementary metal–oxide–semiconductor (CMOS) logic circuits at their ultimate scaling
limits place extreme demands on the properties of all materials involved. The requirements …
limits place extreme demands on the properties of all materials involved. The requirements …
Recent advances and applications of machine learning in solid-state materials science
One of the most exciting tools that have entered the material science toolbox in recent years
is machine learning. This collection of statistical methods has already proved to be capable …
is machine learning. This collection of statistical methods has already proved to be capable …
Recent developments in emerging two-dimensional materials and their applications
The technological evolution has been progressing for centuries and will possibly increase at
a higher rate in the 21st century. Currently, in this age of nanotechnology, the discovery of …
a higher rate in the 21st century. Currently, in this age of nanotechnology, the discovery of …
Graphene and two-dimensional materials for silicon technology
The development of silicon semiconductor technology has produced breakthroughs in
electronics—from the microprocessor in the late 1960s to early 1970s, to automation …
electronics—from the microprocessor in the late 1960s to early 1970s, to automation …