A rotating cylinder with its side cut away to expose the core, showing patches of purple, blue, green, yellow, and orange that are dense in the middle and more diffuse toward the edges. This rotating ...

Abstract: Density functional theory (DFT) forms the foundation for computing the electronic structure of many-electron systems through the Kohn-Sham (KS) equations, with electron density $\mathbf ...

Is this real life? Is this just fantasy? A growing number of scientists are suggesting that the idea that we are all living in a simulation may not be completely far-fetched. Simulation theory is the ...

Scientific research is a continuous journey fueled by curiosity and collaboration, a conversation between scientists that often crosses continents and spans decades, with each new discovery inspired ...

ABSTRACT: Predicting the material stability is essential for accelerating the discovery of advanced materials in renewable energy, aerospace, and catalysis. Traditional approaches, such as Density ...

Creative Commons (CC): This is a Creative Commons license. Attribution (BY): Credit must be given to the creator. We introduce a method for computing quantum mechanical forces through surface ...

This repository contains the LaTeX source code for the lecture notes on plane-wave density functional theory, which are part of the Han-sur-Lesse Winterschool lecture titled 'Plane-Wave Density ...

Twelve years ago, I remember a conversation with my neurosurgeon during a follow-up visit after an accident-related sacroiliac joint fusion surgery, where I subsequently also broke several vertebrae.

Rodney Coates does not work for, consult, own shares in or receive funding from any company or organization that would benefit from this article, and has disclosed no relevant affiliations beyond ...

ABSTRACT: The N-representability conditions on the reduced second-order reduced density matrix (2-RDM), impose restrictions not only in the context of reduced density matrix theory (RDMT), but also on ...