Works matching IS 17590876 AND DT 2022 AND VI 12 AND IP 6

Results: 10

n2v: A density‐to‐potential inversion suite. A sandbox for creating, testing, and benchmarking density functional theory inversion methods.
Published in:
WIREs: Computational Molecular Science, 2022, v. 12, n. 6, p. 1, doi. 10.1002/wcms.1617
By:
- Shi, Yuming;
- Chávez, Victor H.;
- Wasserman, Adam
Publication type:
Article
Cover Image, Volume 12, Issue 6.
Published in:
WIREs: Computational Molecular Science, 2022, v. 12, n. 6, p. 1, doi. 10.1002/wcms.1648
By:
- He, Xin;
- Wu, Baihua;
- Shang, Youhao;
- Li, Bingqi;
- Cheng, Xiangsong;
- Liu, Jian
Publication type:
Article
New phase space formulations and quantum dynamics approaches.
Published in:
WIREs: Computational Molecular Science, 2022, v. 12, n. 6, p. 1, doi. 10.1002/wcms.1619
By:
- He, Xin;
- Wu, Baihua;
- Shang, Youhao;
- Li, Bingqi;
- Cheng, Xiangsong;
- Liu, Jian
Publication type:
Article
Machine learning solutions for predicting protein–protein interactions.
Published in:
WIREs: Computational Molecular Science, 2022, v. 12, n. 6, p. 1, doi. 10.1002/wcms.1618
By:
- Casadio, Rita;
- Martelli, Pier Luigi;
- Savojardo, Castrense
Publication type:
Article
Issue Information.
Published in:
WIREs: Computational Molecular Science, 2022, v. 12, n. 6, p. 1, doi. 10.1002/wcms.1553
Publication type:
Article
Diffusion Monte Carlo approaches for studying nuclear quantum effects in fluxional molecules.
Published in:
WIREs: Computational Molecular Science, 2022, v. 12, n. 6, p. 1, doi. 10.1002/wcms.1615
By:
- DiRisio, Ryan J.;
- Finney, Jacob M.;
- McCoy, Anne B.
Publication type:
Article
Time‐dependent density matrix renormalization group method for quantum dynamics in complex systems.
Published in:
WIREs: Computational Molecular Science, 2022, v. 12, n. 6, p. 1, doi. 10.1002/wcms.1614
By:
- Ren, Jiajun;
- Li, Weitang;
- Jiang, Tong;
- Wang, Yuanheng;
- Shuai, Zhigang
Publication type:
Article
Power of stochastic kinetic models: From biological signaling and antibiotic activities to T cell activation and cancer initiation dynamics.
Published in:
WIREs: Computational Molecular Science, 2022, v. 12, n. 6, p. 1, doi. 10.1002/wcms.1612
By:
- Teimouri, Hamid;
- Kolomeisky, Anatoly B.
Publication type:
Article
Beyond energetic and scalar measures: Next generation quantum theory of atoms in molecules.
Published in:
WIREs: Computational Molecular Science, 2022, v. 12, n. 6, p. 1, doi. 10.1002/wcms.1611
By:
- Kirk, Steven R.;
- Jenkins, Samantha
Publication type:
Article
Catalyst design within asymmetric organocatalysis.
Published in:
WIREs: Computational Molecular Science, 2022, v. 12, n. 6, p. 1, doi. 10.1002/wcms.1616
By:
- Iribarren, Iñigo;
- Garcia, Marianne Rica;
- Trujillo, Cristina
Publication type:
Article