Living organisms, ecosystems and the planet Earth are, from a physics point of view, examples of extraordinarily large and complex systems that are not in thermal equilibrium. To physically describe ...
After years of progress, density functional theory is entering a period of rapid advancement, enabled by emerging generalized schemes, richer descriptors, machine learning, and the anticipated ...
Density-functional theory methods and codes adopting periodic boundary conditions are extensively used in condensed matter physics and materials science research. In 2016, their precision (how well ...