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Journal of Chemical Theory and Computation
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April 6, 2024
Machine-Learned Kohn-Sham Hamiltonian Mapping for Nonadiabatic Molecular Dynamics
Mohammad Shakiba, Alexey V Akimov
Clinical and Experimental Hepatology
|
September 12, 2019
A systematic review and meta-analysis of evaluation of serum interleukin 8 levels in hepatocellular carcinoma
Ebrahim Shakiba, Masoud Sadeghi, Mohammad Shakiba
Nanotechnology
|
March 10, 2021
The role of alkane chain in primary amine capped CdSe and CdS quantum dots from first-principles
Mohammad Shakiba, Ahmad Irannejad, Shahriar Sharafi
Journal of Chemical Theory and Computation
|
January 15, 2021
Nonadiabatic Dynamics in Si and CdSe Nanoclusters: Many-Body vs Single-Particle Treatment of Excited States
Brendan Smith, Mohammad Shakiba, Alexey V Akimov
The Journal of Physical Chemistry Letters
|
March 4, 2021
Crystal Symmetry and Static Electron Correlation Greatly Accelerate Nonradiative Dynamics in Lead Halide Perovskites
Brendan Smith, Mohammad Shakiba, Alexey V Akimov
The Journal of Physical Chemistry Letters
|
July 5, 2025
Fully-Integrated Surface Hopping as Quantum Decoherence Correction in Nonadiabatic Dynamics
Daeho Han, Mohammad Shakiba, Alexey V Akimov
Materials (Basel, Switzerland)
|
August 5, 2017
Modeling the Effects of Cu Content and Deformation Variables on the High-Temperature Flow Behavior of Dilute Al-Fe-Si Alloys Using an Artificial Neural Network
Mohammad Shakiba, Nick Parson, X-Grant Chen
The Journal of Physical Chemistry Letters
|
February 27, 2026
Electronic Shannon Entropy as an Effective Descriptor of Nonradiative Dynamics in Dense Manifolds of Excited States: Case Study of C<sub>20</sub>, C<sub>60</sub>, C<sub>70</sub>, C<sub>76</sub>, C<sub>84</sub>, C<sub>86</sub>, and C<sub>90</sub> Fullerenes
Kosar Yasin, Mohammad Shakiba, Alexey V Akimov
The Journal of Chemical Physics
|
March 11, 2026
Assessment of trajectory surface hopping methods in long-time nonadiabatic dynamics
Mohammad Shakiba, Daeho Han, Saikat Mukherjee, et al.
Journal of Chemical Theory and Computation
|
June 27, 2022
Nonadiabatic Molecular Dynamics with Extended Density Functional Tight-Binding: Application to Nanocrystals and Periodic Solids
Mohammad Shakiba, Elizabeth Stippell, Wei Li, et al.
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Search research articles
Search
Showing results (1-10 of 25) with videos related to
Sort By:
Page
of 3
Journal of Chemical Theory and Computation
|
April 6, 2024
Machine-Learned Kohn-Sham Hamiltonian Mapping for Nonadiabatic Molecular Dynamics
Mohammad Shakiba, Alexey V Akimov
Clinical and Experimental Hepatology
|
September 12, 2019
A systematic review and meta-analysis of evaluation of serum interleukin 8 levels in hepatocellular carcinoma
Ebrahim Shakiba, Masoud Sadeghi, Mohammad Shakiba
Nanotechnology
|
March 10, 2021
The role of alkane chain in primary amine capped CdSe and CdS quantum dots from first-principles
Mohammad Shakiba, Ahmad Irannejad, Shahriar Sharafi
Journal of Chemical Theory and Computation
|
January 15, 2021
Nonadiabatic Dynamics in Si and CdSe Nanoclusters: Many-Body vs Single-Particle Treatment of Excited States
Brendan Smith, Mohammad Shakiba, Alexey V Akimov
The Journal of Physical Chemistry Letters
|
March 4, 2021
Crystal Symmetry and Static Electron Correlation Greatly Accelerate Nonradiative Dynamics in Lead Halide Perovskites
Brendan Smith, Mohammad Shakiba, Alexey V Akimov
The Journal of Physical Chemistry Letters
|
July 5, 2025
Fully-Integrated Surface Hopping as Quantum Decoherence Correction in Nonadiabatic Dynamics
Daeho Han, Mohammad Shakiba, Alexey V Akimov
Materials (Basel, Switzerland)
|
August 5, 2017
Modeling the Effects of Cu Content and Deformation Variables on the High-Temperature Flow Behavior of Dilute Al-Fe-Si Alloys Using an Artificial Neural Network
Mohammad Shakiba, Nick Parson, X-Grant Chen
The Journal of Physical Chemistry Letters
|
February 27, 2026
Electronic Shannon Entropy as an Effective Descriptor of Nonradiative Dynamics in Dense Manifolds of Excited States: Case Study of C<sub>20</sub>, C<sub>60</sub>, C<sub>70</sub>, C<sub>76</sub>, C<sub>84</sub>, C<sub>86</sub>, and C<sub>90</sub> Fullerenes
Kosar Yasin, Mohammad Shakiba, Alexey V Akimov
The Journal of Chemical Physics
|
March 11, 2026
Assessment of trajectory surface hopping methods in long-time nonadiabatic dynamics
Mohammad Shakiba, Daeho Han, Saikat Mukherjee, et al.
Journal of Chemical Theory and Computation
|
June 27, 2022
Nonadiabatic Molecular Dynamics with Extended Density Functional Tight-Binding: Application to Nanocrystals and Periodic Solids
Mohammad Shakiba, Elizabeth Stippell, Wei Li, et al.
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