CONUNDrum: a program for orbital-free density functional theory calculations
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Publication:6040070
DOI10.1016/j.cpc.2020.107365zbMath1525.82030OpenAlexW3027032488WikidataQ114192785 ScholiaQ114192785MaRDI QIDQ6040070
Publication date: 24 May 2023
Published in: Computer Physics Communications (Search for Journal in Brave)
Full work available at URL: https://doi.org/10.1016/j.cpc.2020.107365
neural networkmachine learningorbital-free density functional theorykinetic energy functionalreal-space grid
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