Publications by authors named "Mojtaba Alaei"

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Experimental Exchange Interaction Dataset for Magnetic Materials: Spin Waves to MC Simulations.
Mojtaba Alaei, Zahra Mosleh, Nafise Rezaei, Artem R Oganov

Sci Data· November 2025

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1D transition metal oxide chains as a challenging model for ab initio calculations.
Jila Amini, Mojtaba Alaei, Stefano de Gironcoli

J Chem Phys· September 2025

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Predicting superconducting transition temperature through advanced machine learning and innovative feature engineering.
Hassan Gashmard, Hamideh Shakeripour, Mojtaba Alaei

Sci Rep· February 2024

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Novel first-principles insights into graphene fluorination.
Tahereh Malakoutikhah, S Javad Hashemifar, Mojtaba Alaei

J Chem Phys· August 2022

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Ab-initio search for efficient red thermally activated delayed fluorescence molecules for organic light emitting diodes.
Mostafa Tavakoli, Hossein Ahmadvand, Mojtaba Alaei, Mohammad Amin Ranjbari

Spectrochim Acta A Mol Biomol Spectrosc· February 2021

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New candidates for the global minimum of medium-sized silicon clusters: A hybrid DFTB/DFT genetic algorithm applied to Si , = 8-80.
Shima Heydariyan, Mohammad Reza Nouri, Mojtaba Alaei, Zahed Allahyari, Thomas A Niehaus

J Chem Phys· August 2018

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Stable isomers and electronic, vibrational, and optical properties of WS nano-clusters: A first-principles study.
Roohollah Hafizi, S Javad Hashemifar, Mojtaba Alaei, MohammadReza Jangrouei, Hadi Akbarzadeh

J Chem Phys· December 2016

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