Farnaz A Shakib
12PUBLICATIONS
8CO-AUTHORS
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Publications (12)
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|Dec 15, 2025
Diagonal Born-Oppenheimer corrections in condensed-phase ring polymer surface hopping.Dil K Limbu, Sandip Bhusal, Diana M Castañeda-Bagatella
|Sep 12, 2025
Two-Dimensional Electrically Conductive Metal-Organic Frameworks: Insights and Guidelines from Theory.Shogo Nakaza, Yuliang Shi, Zeyu Zhang
|Apr 29, 2025
DL_POLY Quantum 2.1: A Suite of Real-Time Path Integral Methods for the Simulation of Dynamical Properties and Vibrational Spectra.Nathan London, Dil K Limbu, Md Omar Faruque
|Apr 01, 2024
DL_POLY Quantum 2.0: A modular general-purpose software for advanced path integral simulations.Nathan London, Dil K Limbu, Mohammad R Momeni
|Oct 09, 2023
Effects of Defects and Presence of Open-Metal Sites on the Structure and Dynamics of Water in Hydrophobic Zeolitic Imidazolate Frameworks.Yuliang Shi, Dil K Limbu, Zeyu Zhang
|Sep 21, 2023
Real-Time Dynamics and Detailed Balance in Ring Polymer Surface Hopping: The Impact of Frustrated Hops.Dil K Limbu, Farnaz A Shakib
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