| Density functional theory with nonlocal correlation: A key to the solution of the CO adsorption puzzle P Lazić, M Alaei, N Atodiresei, V Caciuc, R Brako, S Blügel Physical Review B 81 (4), 045401, 2010 | 108 | 2010 |
| JuNoLo–Jülich nonlocal code for parallel post-processing evaluation of vdW-DF correlation energy P Lazić, N Atodiresei, M Alaei, V Caciuc, S Blügel, R Brako Computer physics communications 181 (2), 371-379, 2010 | 51 | 2010 |
| : GGA density functional study of site preference for adsorption M Alaei, H Akbarzadeh, H Gholizadeh, S De Gironcoli Physical Review B 77 (8), 085414, 2008 | 46 | 2008 |
| Quantum Monte Carlo study of high-pressure cubic TiO2 M Abbasnejad, E Shojaee, MR Mohammadizadeh, M Alaei, R Maezono Applied Physics Letters 100 (26), 2012 | 32 | 2012 |
| Spin Hamiltonian, order out of a Coulomb phase, and pseudocriticality in the frustrated pyrochlore Heisenberg antiferromagnet FeF 3 A Sadeghi, M Alaei, F Shahbazi, MJP Gingras Physical Review B 91 (14), 140407, 2015 | 30 | 2015 |
| Devil's staircase transition of the electronic structures in CeSb K Kuroda, Y Arai, N Rezaei, S Kunisada, S Sakuragi, M Alaei, Y Kinoshita, ... Nature Communications 11 (1), 2888, 2020 | 28 | 2020 |
| Ab initio investigation of magnetic ordering in the double perovskite N Rezaei, T Hashemifar, M Alaei, F Shahbazi, SJ Hashemifar, ... Physical Review B 99 (10), 104411, 2019 | 17 | 2019 |
| Density-functional study of the pure and palladium doped small copper and silver clusters H Kahnouji, H Najafvandzadeh, SJ Hashemifar, M Alaei, H Akbarzadeh Chemical Physics Letters 630, 101-105, 2015 | 17 | 2015 |
| ESpinS: A program for classical Monte-Carlo simulations of spin systems N Rezaei, M Alaei, H Akbarzadeh Computational Materials Science 202, 110947, 2022 | 15 | 2022 |
| First-principles insights into f magnetism: A case study on some magnetic pyrochlores N Deilynazar, E Khorasani, M Alaei, SJ Hashemifar Journal of Magnetism and Magnetic Materials 393, 127-131, 2015 | 15 | 2015 |
| Magnetic and structural properties of Ni-substituted magnetoelectric H Papi, VY Favre, H Ahmadvand, M Alaei, M Khondabi, D Sheptyakov, ... Physical Review B 100 (13), 134408, 2019 | 14 | 2019 |
| New candidates for the global minimum of medium-sized silicon clusters: A hybrid DFTB/DFT genetic algorithm applied to Sin, n= 8-80 S Heydariyan, MR Nouri, M Alaei, Z Allahyari, TA Niehaus The Journal of chemical physics 149 (7), 2018 | 14 | 2018 |
| Origin of magnetic frustration in M Alaei, H Mosadeq, IA Sarsari, F Shahbazi Physical Review B 96 (14), 140404, 2017 | 13 | 2017 |
| Machine learning for compositional disorder: a comparison between different descriptors and machine learning frameworks M Yaghoobi, M Alaei Computational Materials Science 207, 111284, 2022 | 10 | 2022 |
| On the classical vibrational coherence of carbonyl groups in the selectivity filter backbone of the KcsA ion channel V Salari, M Sajadi, H Bassereh, V Rezania, M Alaei, JA Tuszynski Journal of integrative neuroscience 14 (02), 195-206, 2015 | 9 | 2015 |
| Ab-initio search for efficient red thermally activated delayed fluorescence molecules for organic light emitting diodes M Tavakoli, H Ahmadvand, M Alaei, MA Ranjbari Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy 246, 118952, 2021 | 7 | 2021 |
| Stable isomers and electronic, vibrational, and optical properties of WS2 nano-clusters: A first-principles study R Hafizi, SJ Hashemifar, M Alaei, MR Jangrouei, H Akbarzadeh The Journal of Chemical Physics 145 (21), 2016 | 7 | 2016 |
| Superconductivity in heavily vacant diamond M Alaei, SA Jafari, H Akbarzadeh Journal of Physics and Chemistry of Solids 69 (12), 3283-3285, 2008 | 5 | 2008 |
| Band structure engineering in gallium sulfide nanostructures M Mosaferi, IA Sarsari, M Alaei Applied Physics A 127 (2), 123, 2021 | 4 | 2021 |
| Effects of strain on electronic and magnetic properties of nanolayer: A density functional and Monte Carlo study H Kahnouji, SJ Hashemifar, N Rezaei, M Alaei Physical Review B 100 (8), 085423, 2019 | 4 | 2019 |
S. Javad HashemifarDepartment of Physics, Isfahan University of TechnologyVerified email at cc.iut.ac.ir
