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Nasim Anousheh, PhD
Computational Chemistry
1) Anousheh, N.,Shamloo A., Jalili S., Tuszynski, J. A., 2022, "Electrolyte adsorption in graphene and hexagonal boron nitride nanochannels", Journal of Molecular Liquids, Volume 367, Part A, pp. 120474
2) Kadupitiya, J. C. S., Nasim Anousheh, N., Jadhao, V., Designing Machine Learning Surrogates using Outputs of Molecular Dynamics Simulations as Soft Labels". arxiv.org/abs/2110.14714v1 (2021).
3) Garyfallidis, E. Koudoro, S., Guaje, J., Anousheh, N., Silva, F., Fox, G., FURY for advanced scientific visualization. Journal of Open Source Software, 6(64), 3384, 2021.
4) Garyfallidis, E., Fadnavis S., Park, J. S., Chandio, B. Q., Guaje, J., Koudoro, S., Anousheh, N., 2021. ThetA -- fast and robust clustering via a distance parameter.
5) Remi, G., et al., 2021. Brainhack: developing a culture of open, inclusive, community-driven neuroscience., 2021, J. Neuron.
6) Anousheh, N., Solis, F., Jadhao, V., 2020. "Ionic structure and decay length in highly concentrated confined electrolytes". AIP Advances, 10(12),pp. 125312.
7) Anousheh, N., Soldera, A., 2017. "Influence of Regio-irregular Structures on Thermal Behaviour of PVDF.Polymer", 125(8), pp. 154-160.
8) Anousheh, N., Godey, F. and Soldera, A., 2017. "Unveiling the impact of regioisomerism defects in the glass transition temperature of PVDF by the mean of the activation energy". Polymer Science Part A: Polymer Chemistry, 55(3), pp.419-426.
9) Anousheh, N., 2017. Ph.D Thesis, "Atomistic Simulation of Fluoropolymers: Impact of Regio-defects on Characterization of Polyvinylidene Fluoride."
10) Okati, A., Zolfaghari, A., Sadat Hashemi, F., Anousheh, N. and Jooya, H., 2009. "Hydrogen Physisorption on Stone‐Wales Defect‐embedded Single‐walled Carbon Nanotubes. Fullerenes, Nanotubes and Carbon Nanostructures", 17(3), pp.324-335.
1) Anousheh N., Koudoro S. , Guaje J., Garyfallidis E., Furious Atoms (FA) : a new open source software for building, modifying and visualizing 3D chemical structures
2) Kadupitiya, K., Marru, S., Fox, G.C., Anousheh, N., Jadhao, V., 2017. "Ions in nanoconfinement", .https://nanohub.org/resources/nanoconfinement, online on nanoHUB.
1) Soldera, A., Porzio, F. and Anousheh, N., 2014. "Molecular Simulation of Fluoropolymers. Handbook of Fluoropolymer Science and Technology", pp.105-130.
PUBLICATIONS
Software
Book Chapter
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