Quantum ESPRESSO is an integrated suite of open-source computer codes for quantum simulations of materials using state-of-the-art electronic-structure techniques, based on density-functional theory, density-functional perturbation theory, and many-body perturbation theory, within the plane-wave pseudopotential and projector-augmented-wave approaches. A recent JPCM paper… Read More ›
Talat Rahman is a Distinguished and Pegasus Professor at the Department of Physics, University of Central Florida, and section editor of the new Journal of Physics: Condensed Matter section on Physics of Chemical Processes.
In a recent Journal of Physics: Condensed Matter paper, Maciej Bieniek, Tomasz Woźniak and Paweł Potasz investigate atomically thin bismuth nanostructures in the context of stability of their topological properties.
Can phonons be controlled by engineering disorder?
A new approach enables fully ab initio simulations of the contacts between 3D and 2D materials.
Does ordering of vacancies and their type play any role on stability of MoN and TaN?
Electronic density functional theory (DFT) will be well known to anyone working in condensed matter physics, especially those trying to predict complex behavior at the atomic scale. However fewer will be familiar with classical DFT.
Surface patterning turns first-order a prewetting transition into a continuous one.
This week’s image comes from a recent paper which uses electrons formed by conjugated polymer nano-rings as resonators to create whispering galley modes.
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