The global market for 2D materials — already estimated at several billion dollars annually — is growing at a 4 percent rate. This is explained by the importance of these newly synthesized materials, ...

Atomistic modeling techniques use modern computing power to explicitly include every atom in modeling of a material. As interacting atoms are the foundation of all materials science, atomistic ...

A team led by Prof. Jiang Bin from the University of Science and Technology of China (USTC) made a series of breakthroughs in chemical dynamics simulations of molecular, condensed phase and ...

Researchers have dived down to the atomic scale to resolve every 'jiggle and wiggle' of atomic motion that underlies metal strength. Lawrence Livermore National Laboratory researchers have dived down ...

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(Nanowerk Spotlight) Material scientists have been fascinated by spider silks for a long time – ultra-strong and extensible self-assembling biopolymers that outperform the mechanical characteristics ...

Using porous graphene as both a specific model system and an analog to other two-dimensional crystals, our group has developed theory, simulation, and analysis techniques to understand how ...

Structural biology and computer simulations pave the way for a deeper understanding of biological energy conversion. High-resolution structure and atomistic simulations allowed researchers to identify ...

Degradation of platinum, used as a key electrode material in the hydrogen economy, severely shortens the lifetime of electrochemical energy conversion devices, such as fuel cells. For the first time, ...