Abstract: First-principles density functional theory (DFT) with plane wave (PW) basis set is the most widely used method in quantum mechanical material simulations due to its advantages in accuracy ...

Abstract: Chiplet-based chips are the natural evolution of traditional 2D SoCs. In the future, off-the-shelf chiplets are expected to represent an important component of the semiconductor industry.

ProMach has acquired DFT Technology GmbH, a leader in the thermal treatment of food products. Founded in 2000, DFT is a leading supplier of water immersion retort technology. The company has a broad ...

We are grateful for the many thoughtful comments and feedback from the community regarding DFT, ranging from discussions of related ideas to reports of its application in different scenarios. We have ...

A research team led by the Dalian Institute of Chemical Physics in China have used tetramethylammonium chloride in the fabrication of perovskite solar cells and modules, demonstrating that it improved ...

Density Functional Theory (DFT) is the workhorse method in chemistry and physics for predicting the formation and properties of molecules and materials. Among many other applications, it plays a ...

In Density Functional Theory, the exchange correlation functional captures the complex relationship between its input—the electron density — and its output: the exchange-correlation energy. The ...

The Nature Index 2025 Research Leaders — previously known as Annual Tables — reveal the leading institutions and countries/territories in the natural and health sciences, according to their output in ...

Open Molecules 2025, an unprecedented dataset of molecular simulations, has been released to the scientific community, paving the way for the development of machine learning tools that can accurately ...

From April 28, Thailand’s DFT will issue electronic certificates of origin (e-Form D) to streamline exports under ASEAN free trade agreements. The Department of Foreign Trade (DFT) announced on ...

The chemical reactions in heterogeneous catalysis occur at the interface between two different phases of matter. In electrocatalysis, particular emphasis is placed on the solid–liquid interface, which ...