Works matching IS 17590876 AND DT 2023 AND VI 13 AND IP 5
Results: 12
A promising intersection of excited‐state‐specific methods from quantum chemistry and quantum Monte Carlo.
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- WIREs: Computational Molecular Science, 2023, v. 13, n. 5, p. 1, doi. 10.1002/wcms.1659
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- Article
Issue Information.
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- WIREs: Computational Molecular Science, 2023, v. 13, n. 5, p. 1, doi. 10.1002/wcms.1628
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- Article
Ligandability and druggability assessment via machine learning.
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- WIREs: Computational Molecular Science, 2023, v. 13, n. 5, p. 1, doi. 10.1002/wcms.1676
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Cover Image, Volume 13, Issue 5.
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- WIREs: Computational Molecular Science, 2023, v. 13, n. 5, p. 1, doi. 10.1002/wcms.1688
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- Article
Time‐dependent coupled‐cluster theory.
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- WIREs: Computational Molecular Science, 2023, v. 13, n. 5, p. 1, doi. 10.1002/wcms.1666
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- Article
Advances in modeling attosecond electron dynamics in molecular photoionization.
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- WIREs: Computational Molecular Science, 2023, v. 13, n. 5, p. 1, doi. 10.1002/wcms.1673
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- Article
Multiscale modeling and simulation of surface‐enhanced spectroscopy and plasmonic photocatalysis.
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- WIREs: Computational Molecular Science, 2023, v. 13, n. 5, p. 1, doi. 10.1002/wcms.1665
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- Article
Open source variational quantum eigensolver extension of the quantum learning machine for quantum chemistry.
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- WIREs: Computational Molecular Science, 2023, v. 13, n. 5, p. 1, doi. 10.1002/wcms.1664
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- Article
Quantum chemical modeling of organic enhanced atmospheric nucleation: A critical review.
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- WIREs: Computational Molecular Science, 2023, v. 13, n. 5, p. 1, doi. 10.1002/wcms.1662
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AQME: Automated quantum mechanical environments for researchers and educators.
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- WIREs: Computational Molecular Science, 2023, v. 13, n. 5, p. 1, doi. 10.1002/wcms.1663
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- Article
Computational insights into the rational design of organic electrode materials for metal ion batteries.
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- WIREs: Computational Molecular Science, 2023, v. 13, n. 5, p. 1, doi. 10.1002/wcms.1660
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- Article
Multiscale simulations of nanofluidics: Recent progress and perspective.
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- WIREs: Computational Molecular Science, 2023, v. 13, n. 5, p. 1, doi. 10.1002/wcms.1661
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- Article