Scientists use quantum many-body data and machine learning to boost density functional theory accuracy for chemistry and ...

Covalent organic frameworks (COFs) have been hailed as next-generation materials for capturing water from air, powering dehumidifiers, and driving energy-efficient heat pumps. Built from lightweight ...

INTRODUCTION: Density functional theory (DFT) is a widely used method for calculating the electronic properties of materials. The method is based on the idea of approximating the many-electron wave ...

A review of previous attempts to test hypotheses derived from the functional theory of stratification suggests that to test the theory as formulated by Davis and Moore, the unit of analysis must be ...

Scientists reveal for the first time the atomic structure of liquid carbon, key to exoplanets and nuclear fusion.

Plutonium has captured the attention of scientists since its discovery in the early 1940s. This enigmatic element has an ...

The paper explores in detail the intricate relationship between the results of the quantum-chemical calculations and the approximations they rely upon. When chemists want (or need) to include some ...

Power functional theory is a new approach that makes it possible to describe precisely the dynamics of many-particle systems over time. Physicists at the University of Bayreuth are among the ...

The British Journal of Sociology, Vol. 35, No. 1 (Mar., 1984), pp. 1-18 (18 pages) The equilibrium model has long been used in sociology. It has been especially prominent in structural-functional ...

Molecular engineering of a zinc battery co-solvent improves plating stability, suppresses side reactions, and delivers near-perfect efficiency through a single functional group substitution.