Computation CHANGE TOPIC

Computation and theory news, March 2019

Researchers have used machine learning to create molecular models for faster screening of materials such as organic electronics.

29 March 2019

By exciting ‘frustrated’ crystalline materials with laser light, a team of researchers has managed to transform them into a stable ‘supercrystal’.

24 March 2019

Researchers have discovered the strongest topological conductor yet, in the form of thin crystal samples with a spiral-staircase structure.

22 March 2019

Scientists have identified the causes of degradation in a nickel-rich layered cathode material in lithium-ion batteries, as well as possible remedies.

22 March 2019

Strength of metallic alloys that improves at cryogenic temperatures

18 March 2019Laurie Donaldson

Scientists have used a new technique called ultrafast surface X-ray scattering to visualize the motion of atoms in a 2D material.

16 March 2019

Acoustic metamaterial structure blocks 94% of sound

14 March 2019Laurie Donaldson

Researchers have discovered that a high-strength polymer called PBDT has a rare double-helix structure.

13 March 2019

Simulations of how surface roughness changes over time have revealed that surfaces are worn down by the action of debris particles between them.

13 March 2019

By combining graphene with nano-ribbons of gold, researchers have developed an ultrasensitive biosensor for detecting disease-causing proteins.

12 March 2019

The twist angle between layers of 2D semiconductors provides a ‘tuning knob’ to turn them into an exotic quantum material.

11 March 2019

By combining supercomputing with experimental methods, researchers have been able to identify promising materials for dye-sensitized solar cells

7 March 2019

Researchers used machine learning to simulate the quantum mechanics analysis of two capacitor materials, greatly speeding up the process.

7 March 2019

Novel simulations show that atom-sized steps on a substrate have the remarkable ability to keep monolayer crystal islands in alignment as they grow.

6 March 2019

The energy storage capacity of electrodes made from the 2D material MXene can be doubled by adding an appropriate solvent to the electrolyte.

6 March 2019

Researchers have developed a blueprint for understanding and predicting the properties and behavior of nanoparticles containing multiple elements.

4 March 2019

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