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Works matching IS 17590876 AND DT 2024 AND VI 14 AND IP 5

Results: 6

1

Computational design of energy‐related materials: From first‐principles calculations to machine learning.

Published in:

WIREs: Computational Molecular Science, 2024, v. 14, n. 5, p. 1, doi. 10.1002/wcms.1732

By:

Xue, Haibo;
Cheng, Guanjian;
Yin, Wan‐Jian

Publication type:

Article

2

Advanced quantum and semiclassical methods for simulating photoinduced molecular dynamics and spectroscopy.

Published in:

WIREs: Computational Molecular Science, 2024, v. 14, n. 5, p. 1, doi. 10.1002/wcms.1731

By:

Faraji, Shirin;
Picconi, David;
Palacino‐González, Elisa

Publication type:

Article

3

Catalysis in the digital age: Unlocking the power of data with machine learning.

Published in:

WIREs: Computational Molecular Science, 2024, v. 14, n. 5, p. 1, doi. 10.1002/wcms.1730

By:

Abraham, Bokinala Moses;
Jyothirmai, Mullapudi V.;
Sinha, Priyanka;
Viñes, Francesc;
Singh, Jayant K.;
Illas, Francesc

Publication type:

Article

4

Modern chemical graph theory.

Published in:

WIREs: Computational Molecular Science, 2024, v. 14, n. 5, p. 1, doi. 10.1002/wcms.1729

By:

Leite, Leonardo S. G.;
Banerjee, Swarup;
Wei, Yihui;
Elowitt, Jackson;
Clark, Aurora E.

Publication type:

Article

5

ROBERT: Bridging the Gap Between Machine Learning and Chemistry.

Published in:

WIREs: Computational Molecular Science, 2024, v. 14, n. 5, p. 1, doi. 10.1002/wcms.1733

By:

Dalmau, David;
Alegre‐Requena, Juan V.

Publication type:

Article

6

Issue Information.

Published in:: WIREs: Computational Molecular Science, 2024, v. 14, n. 5, p. 1, doi. 10.1002/wcms.1671
Publication type:: Article