Measuring the quantum extent of a single molecule confined to a nanodroplet

There is no measurement that can directly observe the wave function of a quantum mechanical system, but the wave function is still enormously useful as its (complex) square represents the probability ...
Oak Ridge National Lab

Probability Density Function Control of Frequency Fluctuations in Renewable-Rich Power Systems...

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 ...
IEEE

Probability Density Function Control of Frequency Fluctuations in Renewable-Rich Power Systems

Abstract: 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).
C&EN

Multicomponent Double-Hybrid Density Functional Theory

In this contribution we investigate how far multicomponent density functional theory (DFT) results can be improved by the admixture of Møller–Plesset (MP) perturbation theory electron–proton ...
C&EN

Machine learning helps density functional theory model molecules accurately

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 ...
C&EN

Density Functional Theory for Molecular and Periodic Systems in TURBOMOLE: Theory, Implementation, and Applications

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

Density Functions and Descriptive Statistics for Distance Measures in Cartesian Space ()

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 ...
IEEE

Building Accurate Exchange-Correlation Functional for Density Functional Theory Through Data Analytics and Optimization

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 ...
Medical Xpress

A unified theory of the mind could be key to understanding brain function and neurological disease

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.
Microsoft

Timeline: The continuing evolution of density functional theory

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 ...
The New York Times

The Problems Democrats Don’t Like to See

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 ...