WASHINGTON, Dec. 9 (Yonhap) -- A U.S. expert called Tuesday for the United States to flag China's installation of maritime structures in and around a jointly managed zone between South Korea and China ...

Abstract: Electroencephalography (EEG) serves as a critical neuroimaging observation instrument to understand brain dynamics, yet accurately modeling the dynamic functional connectivity inherent in ...

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 ...

Advancing the frontier of quantum chemistry by combining deep learning with Density Functional Theory (DFT) to unlock unprecedented accuracy and scalability in electronic structure simulations.

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 ...

We are excited to share our first big milestone in solving a grand challenge that has hampered the predictive power of computational chemistry, biochemistry, and materials science for decades. By ...

Overview The NWChem plane-wave (NWPW) module uses pseudopotentials and plane-wave basis sets to perform Density Functional Theory calculations (simple introduction pw-lecture.pdf). This module ...

Article subjects are automatically applied from the ACS Subject Taxonomy and describe the scientific concepts and themes of the article. Most widely used quantum chemistry methods rely on the ...

Introduction: Major depressive disorder with suicidal ideation (MDD/SI+) is characterized by high prevalence, high recurrence rate, high disability rate and low response rate. There is an urgent need ...