Works matching IS 17590876 AND DT 2020 AND VI 10 AND IP 3

Results: 9

Machine learning and artificial neural network accelerated computational discoveries in materials science.

Published in:

WIREs: Computational Molecular Science, 2020, v. 10, n. 3, p. 1, doi. 10.1002/wcms.1450

By:

Hong, Yang;
Hou, Bo;
Jiang, Hengle;
Zhang, Jingchao

Publication type:

Article

Interrogating chemical mechanisms in natural products biosynthesis using quantum chemical calculations.

Published in:

WIREs: Computational Molecular Science, 2020, v. 10, n. 3, p. 1, doi. 10.1002/wcms.1453

By:

Tantillo, Dean J.

Publication type:

Article

Recent developments in symmetry‐adapted perturbation theory.

Published in:

WIREs: Computational Molecular Science, 2020, v. 10, n. 3, p. 1, doi. 10.1002/wcms.1452

By:

Patkowski, Konrad

Publication type:

Article

Surviving the deluge of biosimulation data.

Published in:

WIREs: Computational Molecular Science, 2020, v. 10, n. 3, p. 1, doi. 10.1002/wcms.1449

By:

Hospital, Adam;
Battistini, Federica;
Soliva, Robert;
Gelpí, Josep Lluis;
Orozco, Modesto

Publication type:

Article

Computational prediction of protein–protein binding affinities.

Published in:

WIREs: Computational Molecular Science, 2020, v. 10, n. 3, p. 1, doi. 10.1002/wcms.1448

By:

Siebenmorgen, Till;
Zacharias, Martin

Publication type:

Article

Single‐reference coupled cluster methods for computing excitation energies in large molecules: The efficiency and accuracy of approximations.

Published in:

WIREs: Computational Molecular Science, 2020, v. 10, n. 3, p. 1, doi. 10.1002/wcms.1445

By:

Izsák, Róbert

Publication type:

Article

Finding chemical concepts in the Hilbert space: Coupled cluster analyses of noncovalent interactions.

Published in:

WIREs: Computational Molecular Science, 2020, v. 10, n. 3, p. 1, doi. 10.1002/wcms.1442

By:

Bistoni, Giovanni

Publication type:

Article

Photoexcited charge carrier behaviors in solar energy conversion systems from theoretical simulations.

Published in:

WIREs: Computational Molecular Science, 2020, v. 10, n. 3, p. 1, doi. 10.1002/wcms.1441

By:

Wei, Wei;
Huang, Baibiao;
Dai, Ying

Publication type:

Article

Issue information.

Published in:: WIREs: Computational Molecular Science, 2020, v. 10, n. 3, p. 1, doi. 10.1002/wcms.1425
Publication type:: Article