Computation and theory news, December 2021

News archive…

New tool predicts solar cell efficiency and how to improve it

Researchers have developed a simulator that can both predict solar cell efficiency and provide information about what changes will improve it.

22 December 2021

Hexagonal boron nitride (hBN) can be made ‘active’ by ball milling at extremely low temperatures

20 December 2021Cordelia Sealy

A combination of quantum mechanics and machine learning can accurately predict the reduction temperature of metal oxides to their base metals.

13 December 2021

9 December 2021

Sunlight can contract the space between atomic layers in 2D perovskites, improving the material’s photovoltaic efficiency by up to 18%.

2 December 2021

Connect with us

Most viewed in computation and theory…

News

29 November 2022

News

By shifting the oxidation-reduction potential of a lithium-metal electrode, researchers have enhanced the energy density of lithium-metal batteries.

4 November 2022

News

Using AI to design new complex metamaterials with useful properties

18 November 2022Laurie Donaldson

News

Researchers have shown that introducing intentional flaws to a metallic alloy can be used to make it stronger without affecting its flexibility.

2 November 2022

News

Researchers have shown that X-ray absorption spectroscopy and machine learning can be used to identify materials with topological properties.

7 November 2022