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Pouya Partovi-Azar
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Hydration strongly affects the molecular and electronic structure of membrane phospholipids
A Mashaghi, P Partovi-Azar, T Jadidi, N Nafari, P Maass, MRR Tabar, ...
The Journal of chemical physics 136 (11), 03B611, 2012
842012
Structure and dynamics of the instantaneous water/vapor interface revisited by path-integral and ab initio molecular dynamics simulations
J Kessler, H Elgabarty, T Spura, K Karhan, P Partovi-Azar, AA Hassanali, ...
The Journal of Physical Chemistry B 119 (31), 10079-10086, 2015
702015
Evidence for the existence of Li 2 S 2 clusters in lithium–sulfur batteries: ab initio Raman spectroscopy simulation
P Partovi-Azar, TD Kühne, P Kaghazchi
Physical Chemistry Chemical Physics 17 (34), 22009-22014, 2015
532015
Interplay between geometrical structure and electronic properties in rippled free-standing graphene
P Partovi-Azar, N Nafari, MRR Tabar
Physical Review B 83 (16), 165434, 2011
512011
Mechanism for the stable performance of sulfur-copolymer cathode in lithium–sulfur battery studied by solid-state NMR spectroscopy
A Hoefling, DT Nguyen, P Partovi-Azar, D Sebastiani, P Theato, SW Song, ...
Chemistry of Materials 30 (9), 2915-2923, 2018
462018
Interfacial water facilitates energy transfer by inducing extended vibrations in membrane lipids
A Mashaghi, P Partovi-Azar, T Jadidi, N Nafari, K Esfarjani, P Maass, ...
The Journal of Physical Chemistry B 116 (22), 6455-6460, 2012
292012
Stone–Wales defects can cause a metal–semiconductor transition in carbon nanotubes depending on their orientation
P Partovi-Azar, A Namiranian
Journal of Physics: Condensed Matter 24 (3), 035301, 2011
212011
Origin of shuttle-free sulfurized polyacrylonitrile in lithium-sulfur batteries
CJ Huang, JH Cheng, WN Su, P Partovi-Azar, LY Kuo, MC Tsai, MH Lin, ...
Journal of power sources 492, 229508, 2021
202021
Electronic features induced by Stone–Wales defects in zigzag and chiral carbon nanotubes
P Partovi-Azar, SP Jand, A Namiranian, H Rafii-Tabar
Computational materials science 79, 82-86, 2013
182013
Efficient "on-the-fly" calculation of Raman spectra from ab-initio molecular dynamics: Application to hydrophobic/hydrophilic solutes in bulk water
P Partovi-Azar, TD Kühne
arXiv preprint arXiv:1504.03639, 2015
162015
Enhanced autoionization of water at phospholipid interfaces
A Mashaghi, P Partovi-Azar, T Jadidi, M Anvari, SP Jand, N Nafari, ...
The Journal of Physical Chemistry C 117 (1), 510-514, 2013
152013
Optoelectronic properties of diamondoid-DNA complexes
CS Sarap, P Partovi-Azar, M Fyta
ACS Applied Bio Materials 1, 59-69, 2018
112018
Electronic, magnetic, and transport properties of polyacrylonitrile-based carbon nanofibers of various widths: density-functional theory calculations
P Partovi-Azar, SP Jand, P Kaghazchi
Physical Review Applied 9 (1), 014012, 2018
102018
Nonlinear conductance in finite-length armchair single-wall carbon nanotubes with one single impurity
P Partovi-Azar, A Namiranian
Journal of Physics: Condensed Matter 20 (13), 135213, 2008
82008
Many‐body dispersion interactions for periodic systems based on maximally localized Wannier functions: Application to graphene/water systems
P Partovi‐Azar, TD Kuehne
physica status solidi (b) 253 (2), 308-313, 2016
72016
Enhancing the optical detection of mutants from healthy DNA with diamondoids
CS Sarap, P Partovi-Azar, M Fyta
Journal of Materials Chemistry B 7 (21), 3424-3430, 2019
62019
On the Structure of Sulfur/1, 3‐Diisopropenylbenzene Co‐Polymer Cathodes for Li‐S Batteries: Insights from Density‐Functional Theory Calculations
R Kiani, D Sebastiani, P Partovi‐Azar
ChemPhysChem 23 (1), e202100519, 2022
42022
Improved parameterization of the quantum harmonic oscillator model based on localized wannier functions to describe Van der Waals interactions in density functional theory
P Partovi‐Azar, M Berg, S Sanna, TD Kühne
International Journal of Quantum Chemistry 116 (15), 1160-1165, 2016
42016
Nonlinear conductance reveals positions of carbon atoms in metallic single-wall carbon nanotubes
P Partovi-Azar, A Namiranian
The European Physical Journal B 72, 89-95, 2009
42009
Time‐dependent density functional theory study on direction‐dependent electron and hole transfer processes in molecular systems
P Partovi‐Azar, P Kaghazchi
Journal of Computational Chemistry 38 (10), 698-703, 2017
32017
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