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 ...

The stochastic nature of renewable energy sources (RESs) necessitates treating power system frequency response as a random process with a nonstationary probability density function (PDF). Based upon ...

First-principle calculations, also known as ab initio methods, predict the properties of materials by solving the electronic motion equations derived from the fundamental principles of quantum ...

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 ...

Otto Schott Institute of Materials Research, Friedrich Schiller University Jena, Löbdergraben 32, 07743 Jena, Germany Department of Chemical Engineering, Indian Institute of Science, Bengaluru, ...

This research provides density functions and descriptive statistics for the distance between points for basic shapes in Cartesian space. Both Euclidean and Rectilinear Distances are determined for ...

In a new paper with implications for preventing Alzheimer's disease and other neurological disorders, Keith Hengen, an associate professor of biology in Arts & Sciences at Washington University in St.

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 ...

Microsoft researchers achieved a breakthrough in the accuracy of DFT, a method for predicting the properties of molecules and materials, by using deep learning. This work can lead to better batteries, ...

I have had a fascinating few months. “Abundance,” the book I wrote with Derek Thompson, is either going to save the Democratic Party or destroy it. You think I’m kidding. Here’s The Wall Street ...

Zico Kolter, a Carnegie Mellon professor and board member at OpenAI, tells WIRED about the dangers of AI agents interacting with one another—and why models need to be more resistant to attacks. Kolter ...