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Dive into the research topics where Farnaz Alipour Shakib is active. These topic labels come from the works of this person. Together they form a unique fingerprint.
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Projects
- 2 Active
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CDS&E: Inverse Design of Electrically Conductive and Magnetically Bi-stable Coordination Polymers
Zhao, M. (CoPI) & Alipour Shakib, F. (PI)
7/1/24 → 6/30/27
New Jersey Institute of Technology
Project: Research project
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DL_POLY Quantum 2.0: A modular general-purpose software for advanced path integral simulations
London, N., Limbu, D. K., Momeni, M. R. & Shakib, F. A., Apr 7 2024, In: Journal of Chemical Physics. 160, 13, 132501.New Jersey Institute of Technology
Research output: Contribution to journal › Article › peer-review
Open Access -
SHARP pack: A modular software for incorporating nuclear quantum effects into non-adiabatic dynamics simulations[Formula presented]
Limbu, D. K. & Shakib, F. A., Mar 2024, In: Software Impacts. 19, 100604.New Jersey Institute of Technology
Research output: Contribution to journal › Article › peer-review
Open Access -
Effects of Defects and Presence of Open-Metal Sites on the Structure and Dynamics of Water in Hydrophobic Zeolitic Imidazolate Frameworks
Shi, Y., Limbu, D. K., Zhang, Z., Momeni, M. R. & Shakib, F. A., Nov 27 2023, In: Journal of chemical information and modeling. 63, 22, p. 7097-7106 10 p.New Jersey Institute of Technology
Research output: Contribution to journal › Article › peer-review
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Real-Time Dynamics and Detailed Balance in Ring Polymer Surface Hopping: The Impact of Frustrated Hops
Limbu, D. K. & Shakib, F. A., Sep 28 2023, In: Journal of Physical Chemistry Letters. 14, 38, p. 8658-8666 9 p.New Jersey Institute of Technology
Research output: Contribution to journal › Article › peer-review
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Erratum: Gauging van der Waals interactions in aqueous solutions of 2D MOFs: when water likes organic linkers more than open-metal sites (Physical Chemistry Chemical Physics (2021) 23 (3135-3143) DOI: 10.1039/D0CP05923D)
Momeni, M. R., Zhang, Z., Dell'Angelo, D. & Shakib, F. A., Oct 17 2022, In: Physical Chemistry Chemical Physics. 24, 41, p. 25673-25674 2 p.New Jersey Institute of Technology
Research output: Contribution to journal › Comment/debate › peer-review
Open Access