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VAMPyR-A high-level Python library for mathematical operations in a multiwavelet representation.
J Chem Phys. 2024 Apr 28;160(16):162502. doi: 10.1063/5.0203401.
J Chem Phys. 2024.
PMID: 38666572
Cavity-Free Continuum Solvation: Implementation and Parametrization in a Multiwavelet Framework.
Gerez S GA, Di Remigio Eikås R, Jensen SR, Bjørgve M, Frediani L.
Gerez S GA, et al.
J Chem Theory Comput. 2023 Apr 11;19(7):1986-1997. doi: 10.1021/acs.jctc.2c01098. Epub 2023 Mar 18.
J Chem Theory Comput. 2023.
PMID: 36933225
Free PMC article.
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MRChem Multiresolution Analysis Code for Molecular Electronic Structure Calculations: Performance and Scaling Properties.
Wind P, Bjørgve M, Brakestad A, Gerez S GA, Jensen SR, Eikås RDR, Frediani L.
Wind P, et al. Among authors: gerez s ga.
J Chem Theory Comput. 2023 Jan 10;19(1):137-146. doi: 10.1021/acs.jctc.2c00982. Epub 2022 Nov 21.
J Chem Theory Comput. 2023.
PMID: 36410396
Free PMC article.
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