| Hydration strongly affects the molecular and electronic structure of membrane phospholipids A Mashaghi, P Partovi-Azar, T Jadidi, N Nafari, P Maass, M Tabar, ... The Journal of chemical physics 136 (11), 2012 | 89 | 2012 |
| 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 | 81 | 2015 |
| 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 | 66 | 2018 |
| 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 | 62 | 2015 |
| 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 | 52 | 2011 |
| 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 | 37 | 2021 |
| 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 | 31 | 2012 |
| 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 | 24 | 2011 |
| 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 | 20 | 2015 |
| 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 | 18 | 2013 |
| 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 | 16 | 2013 |
| Optoelectronic properties of diamondoid-DNA complexes CS Sarap, P Partovi-Azar, M Fyta ACS Applied Bio Materials 1, 59-69, 2018 | 12 | 2018 |
| 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 | 10 | 2018 |
| 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 | 9 | 2022 |
| How Regiochemistry Influences Aggregation Behavior and Charge Transport in Conjugated Organosulfur Polymer Cathodes for Lithium–Sulfur Batteries Y Schütze, D Gayen, K Palczynski, R de Oliveira Silva, Y Lu, M Tovar, ... ACS nano 17 (8), 7889-7900, 2023 | 8 | 2023 |
| 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 | 8 | 2016 |
| 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 | 8 | 2008 |
| 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 | 6 | 2019 |
| 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 | 5 | 2016 |
| 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 | 4 | 2009 |
Thomas D. KühneFounding Director of the Center for Advanced Systems Understanding (CASUS)Verified email at cp2k.org
