Density functional theory (DFT) is a cornerstone tool of modern physics, chemistry, and engineering used to explore the behavior of electrons. While essential in modeling systems with many electrons, ...
Deep-Learning Paradigm Achieves Global Precision in Nuclear Charge Density PredictionsThe charge density distribution of 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 ...
Due to its high electron mobilities at ambient temperature and peculiar electronic behaviors like the quantum hall effect, which imitates massless transportation and results in high superconductivity, ...
Density functional theory (DFT) is a cornerstone tool of modern physics, chemistry, and engineering used to explore the behavior of electrons. While essential in modeling systems with many electrons, ...
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 ...
Funding is provided via the China Scholarship Council. Available to Chinese applicants only. Applicant required to start in September 2026. The studentship arrangement will cover overseas tuition fees ...
At the most fundamental level, first-principles quantum mechanical methods are remarkably successful in describing the structure and electronic and vibrational excitations that determine the ...
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