Citations: Roese, Neal, Kai Epstude. 2017. The functional theory of counterfactual thinking: New evidence, new controversies, new insights. Advances in experimental ...

Recently, the research team led by Dr. HUANG Qing from the Hefei Institutes of Physical Science of the Chinese Academy of ...

We have developed a breakthrough method to convert carbon nanoparticles (CNPs) from vehicular emissions into high-performance ...

At its core, DFT postulates that the ground-state energy of a quantum system is a functional of the electron density. This principle, known as the Hohenberg-Kohn theorem, simplifies the problem of ...

Simulations reveal how aged nanoplastics form stable aggregates with organic matter, influencing their transport in aquatic ...

For this study, we needed to calculate the band gaps of MOFs for which hybrid DFT would be a suitable theory. However, the cost of hybrid DFT calculations was prohibitively expensive. To overcome this ...

Density functional theory is computational technique used to predict the properties of molecules and bulk materials. It is a method for investigating the electronic structure of many-body systems ...