Shanghai Engineering Research Center of Molecular Therapeutics and New Drug Development, Shanghai Key Laboratory of Green Chemistry & Chemical Process, School of Chemistry and Molecular Engineering, ...

High salt concentration is advantageous to achieve high ionic conductivity, but it makes estimation of battery performance difficult due to the breakdown of dilute-solution theory, which assumes ...

Department of Mechanical Engineering, State Key Laboratory of Tribology in Advanced Equipment (SKLT), Tsinghua University, Beijing 100084, China ...

Joseph Juran was a pioneer in the study of quality control. His management theory has gained worldwide recognition in the science, engineering and mathematics fields. His “Juran’s Quality Control ...

But none have been as popular as modern portfolio theory (MPT). Here, we look at the basic ideas behind MPT, its pros and cons, and how it should factor into your portfolio management. Modern ...

Additionally, spin-polarized density functional theory (DFT) calculations were conducted to investigate the electrochemical ... Systematic characterizations, including FTIR and NMR, revealed the ...

Guy joined Scientific Data in October 2021. Prior to that he was the Executive Editor for Data at the Royal Society of Chemistry with responsibility for managing chemical databases and setting ...

This python package, based on PySCF, provides the semiempirical TDDFT-ris method, offering a quick and accurate calculation of TDDFT UV-vis absorption spectra. The TDDFT-ris calculation starts from a ...

In the roughly two years since the public release of ChatGPT, artificial intelligence has advanced far more rapidly than humanity has learned to use its good features and to suppress its bad ones.

Additionally, spin-polarized density functional theory (DFT) calculations were ... revealed the structural variations of Na-ion solvation layers and H 2 O in PAE, which decreased the H 2 O activity.

Similarly in mathematics, Gödel's incompleteness theorem tells us that, given a formal theory proving certain ... parameters — such as average solvation energies — to be calculated from ...