Works matching IS 17590876 AND DT 2020 AND VI 10 AND IP 2

Results: 9

Cover Image, Volume 10, Issue 2.

Published in:

WIREs: Computational Molecular Science, 2020, v. 10, n. 2, p. N.PAG, doi. 10.1002/wcms.1467

By:

Portillo‐Ledesma, Stephanie;
Schlick, Tamar

Publication type:

Article

Advances and challenges in modeling solvated reaction mechanisms for renewable fuels and chemicals.

Published in:

WIREs: Computational Molecular Science, 2020, v. 10, n. 2, p. N.PAG, doi. 10.1002/wcms.1446

By:

Basdogan, Yasemin;
Maldonado, Alex M.;
Keith, John A.

Publication type:

Article

Classical molecular dynamics on graphics processing unit architectures.

Published in:

WIREs: Computational Molecular Science, 2020, v. 10, n. 2, p. N.PAG, doi. 10.1002/wcms.1444

By:

Jász, Ádám;
Rák, Ádám;
Ladjánszki, István;
Cserey, György

Publication type:

Article

Hybrid discrete‐continuum solvation methods.

Published in:

WIREs: Computational Molecular Science, 2020, v. 10, n. 2, p. N.PAG, doi. 10.1002/wcms.1440

By:

Pliego, Josefredo R.;
Riveros, Jose M.

Publication type:

Article

External electric field effects on chemical structure and reactivity.

Published in:

WIREs: Computational Molecular Science, 2020, v. 10, n. 2, p. N.PAG, doi. 10.1002/wcms.1438

By:

Stuyver, Thijs;
Danovich, David;
Joy, Jyothish;
Shaik, Sason

Publication type:

Article

Surface hopping methods for nonadiabatic dynamics in extended systems.

Published in:

WIREs: Computational Molecular Science, 2020, v. 10, n. 2, p. N.PAG, doi. 10.1002/wcms.1435

By:

Wang, Linjun;
Qiu, Jing;
Bai, Xin;
Xu, Jiabo

Publication type:

Article

Bridging chromatin structure and function over a range of experimental spatial and temporal scales by molecular modeling.

Published in:

WIREs: Computational Molecular Science, 2020, v. 10, n. 2, p. N.PAG, doi. 10.1002/wcms.1434

By:

Portillo‐Ledesma, Stephanie;
Schlick, Tamar

Publication type:

Article

Issue information.

Published in:: WIREs: Computational Molecular Science, 2020, v. 10, n. 2, p. N.PAG, doi. 10.1002/wcms.1424
Publication type:: Article

The Chronus Quantum software package.

Published in:

WIREs: Computational Molecular Science, 2020, v. 10, n. 2, p. N.PAG, doi. 10.1002/wcms.1436

By:

Williams‐Young, David B.;
Petrone, Alessio;
Sun, Shichao;
Stetina, Torin F.;
Lestrange, Patrick;
Hoyer, Chad E.;
Nascimento, Daniel R.;
Koulias, Lauren;
Wildman, Andrew;
Kasper, Joseph;
Goings, Joshua J.;
Ding, Feizhi;
DePrince, A. Eugene;
Valeev, Edward F.;
Li, Xiaosong

Publication type:

Article