Using a density-functional-based tight-binding method, they simulated the electronic structure of strained silver atom chains connected to bulk ... reducing the density of available conduction states.

The deconstruction of cellulose is essential for the conversion of biomass into fuels and chemicals. But cellulose, the most ...

Ferromagnetic semiconductors (FMSs) combine the unique properties of semiconductors and magnetism, making them ideal ...

Professor of Experimental Materials Physics Kostas Sarakinos studies, how individual atoms arrange themselves into thin films. Kostas Sarakinos is ...

A new class of organometallic compound has been made that has a distinctive geometry and electronic structure ... 15 carbon atoms binds to an atom of osmium, a transition metal.

One reason why that model needs to be run so many times is that it uses randomly generated guesses for the starting point of the transition state structure ... estimates each atom's position ...

One reason why that model needs to be run so many times is that it uses randomly generated guesses for the starting point of the transition state structure ... estimates each atom's position ...

This new paper pushes the boundaries of actinide chemistry even further. The superatom structure is based around a trithorium ...

The Orbital business center is both simple and complex. Simple in its minimalist form and optimal office layout solution: a ...

With crypto markets stabilizing after $730 million in liquidations and macro volatility, the focus is shifting from ...

Now, on the verge of earning her Ph.D. in computational and applied mathematics at the University of Chicago, Poteshman, a ...

Transition-metal complexes serve as highly enantioselective ... These findings highlight the limitations of energy-based filtering and the advantages of structure-based approaches for conformer ...