KSSOLV Toolbox

First principles, intuitively

4 followers

First principles, intuitively

4 followers

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KSSOLV Toolbox helps you accelerate first-principles research through intuitive GUI and streamlined workflows.

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Free

Launch tags:Education•Science•Data Visualization

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EneyProactive AI for Mac. Free test, 20,000 credits.

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KSSOLV Toolbox: a visual, workflow-oriented tool for first-principles simulation KSSOLV is a MATLAB toolbox for performing Kohn–Sham density functional theory (DFT) calculations using a plane-wave basis. It supports ground-state energy and electron density calculations for molecules and solids, geometry optimization, and k-point sampling for band-structure analysis. KSSOLV is designed for ease of use and for prototyping new algorithms, with an object-oriented structure and readable MATLAB code. Users are welcome to register, try it out, and contribute feedback or improvements.

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12mo ago

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