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List of works by Pouya Partovi-Azar

Efficient "on-the-fly" calculation of Raman spectra from ab-initio molecular dynamics: Application to hydrophobic/hydrophilic solutes in bulk water

scientific article published on 24 September 2015

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

article

In silico Complexes of Amino Acids and Diamondoids

scientific article published on 26 July 2019

Optimized effective potentials to increase the accuracy of approximate proton transfer energy calculations in the excited state

scientific article published on 01 February 2020

Optoelectronic Properties of Diamondoid-DNA Complexes

Stone–Wales defects can cause a metal–semiconductor transition in carbon nanotubes depending on their orientation ⬇️

scientific article published on 09 December 2011

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

scientific article published on 23 July 2015

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