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 and ...
Abstract: Diamond is desirable for the application in power device due to its extremely high theoretical breakdown electric field (>10 MV/cm). However, because of electric field crowding, relatively ...
Abstract: A SnO2 thin layer was deposited between the diamond and Schottky electrode to fabricate the metal–insulator–semiconductor Schottky barrier diode (MIS-SBD). The current–voltage and ...
Density Functional Theory (DFT) is the most widely used electronic structure method for predicting the properties of molecules and materials. Although DFT is, in principle, an exact reformulation of ...
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. Skala, ...
A statically linked binary distribution for Linux platforms is available at the latest release tag. Bleeding edge releases of the latest source from this repository are available on the continuous ...
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