Pouya Partovi-Azar

Time‐dependent density functional theory study on direction‐dependent electron and hole transfer processes in molecular systems

Pouya Partovi-Azar, Payam Kaghazchi, P. Kaghazchi, 2017, J. Comput. Chem..

Efficient “On‐the‐Fly” calculation of Raman Spectra from Ab‐Initio molecular dynamics: Application to hydrophobic/hydrophilic solutes in bulk water

Thomas D. Kühne, Pouya Partovi-Azar, T. Kühne, 2015, J. Comput. Chem..

Many‐body dispersion interactions for periodic systems based on maximally localized Wannier functions: Application to graphene/water systems

Thomas D. Kühne, Pouya Partovi-Azar, T. Kühne, 2016 .

Enhanced Autoionization of Water at Phospholipid Interfaces

Alireza Mashaghi, M. Reza Rahimi Tabar, Mischa Bonn, 2013 .

Structure and Dynamics of the Instantaneous Water/Vapor Interface Revisited by Path-Integral and Ab Initio Molecular Dynamics Simulations.

Thomas Spura, Jan Kessler, Pouya Partovi-Azar, 2015, The journal of physical chemistry. B.

Improved parameterization of the quantum harmonic oscillator model based on localized wannier functions to describe Van der Waals interactions in density functional theory

Thomas D. Kühne, Pouya Partovi-Azar, Simone Sanna, 2016 .

Evidence for the existence of Li2S2 clusters in lithium-sulfur batteries: ab initio Raman spectroscopy simulation.

Pouya Partovi-Azar, Payam Kaghazchi, T. Kühne, 2015, Physical chemistry chemical physics : PCCP.

Interplay between geometrical structure and electronic properties in rippled free-standing graphene

M. Reza Rahimi Tabar, Pouya Partovi-Azar, M. R. R. Tabar, 2011 .

Mechanism for the Stable Performance of Sulfur-Copolymer Cathode in Lithium–Sulfur Battery Studied by Solid-State NMR Spectroscopy

Daniel Sebastiani, Seung-Wan Song, Pouya Partovi-Azar, 2018 .