| Thermal Effects on CH3NH3PbI3 Perovskite from Ab Initio Molecular Dynamics Simulations MA Carignano, A Kachmar, J Hutter The Journal of Physical Chemistry C 119 (17), 8991-8997, 2015 | 134 | 2015 |
| Structure, topology, rings, and vibrational and electronic properties of GeSe glasses across the rigidity transition: A numerical study M Micoulaut, A Kachmar, M Bauchy, S Le Roux, C Massobrio, M Boero Physical Review B 88 (5), 054203, 2013 | 99 | 2013 |
| Role of cations on the electronic transport and optical properties of lead-iodide perovskites GR Berdiyorov, A Kachmar, F El-Mellouhi, MA Carignano, ... The Journal of Physical Chemistry C 120 (30), 16259-16270, 2016 | 69 | 2016 |
| A New Class of Efficient Electrocatalysts for the Reduction of Protons into Hydrogen Based on the [Mo2O2S2]2+ Building Block B Keita, S Floquet, JF Lemonnier, E Cadot, A Kachmar, M Bénard, ... The Journal of Physical Chemistry C 112 (4), 1109-1114, 2008 | 53 | 2008 |
| Effects of electron–phonon coupling on electronic properties of methylammonium lead iodide perovskites WA Saidi, A Kachmar The Journal of Physical Chemistry Letters 9 (24), 7090-7097, 2018 | 47 | 2018 |
| Structural, dynamic, electronic, and vibrational properties of flexible, intermediate, and stressed rigid As-Se glasses and liquids from first principles molecular dynamics M Bauchy, A Kachmar, M Micoulaut The Journal of chemical physics 141 (19), 2014 | 45 | 2014 |
| First-Principles Study of the Transport Properties in Bulk and Monolayer MX3 (M = Ti, Zr, Hf and X = S, Se) Compounds Y Saeed, A Kachmar, MA Carignano The Journal of Physical Chemistry C 121 (3), 1399-1403, 2017 | 42 | 2017 |
| Multi-scale modeling-based prediction of PEM Fuel Cells MEA durability under automotive operating conditions AA Franco, R Coulon, RF de Morais, SK Cheah, A Kachmar, MA Gabriel ECS Transactions 25 (1), 65, 2009 | 33 | 2009 |
| Crystallization properties of arsenic doped GST alloys VE Madhavan, M Carignano, A Kachmar, KS Sangunni Scientific reports 9 (1), 12985, 2019 | 22 | 2019 |
| Host–guest adaptability within oxothiomolybdenum wheels: structures, studies in solution and DFT calculations JF Lemonnier, S Floquet, A Kachmar, MM Rohmer, M Bénard, J Marrot, ... Dalton Transactions, 3043-3054, 2007 | 22 | 2007 |
| Structural and Optical Properties of Solvated PbI2 in γ-Butyrolactone: Insight into the Solution Chemistry of Lead Halide Perovskite Precursors E Radicchi, A Kachmar, E Mosconi, B Bizzarri, F Nunzi, F De Angelis The Journal of Physical Chemistry Letters 11 (15), 6139-6145, 2020 | 18 | 2020 |
| First-principles molecular dynamics in metal-halide perovskites: contrasting generalized gradient approximation and hybrid functionals W Kaiser, M Carignano, AA Alothman, E Mosconi, A Kachmar, ... The Journal of Physical Chemistry Letters 12 (49), 11886-11893, 2021 | 17 | 2021 |
| Tuning the thermodynamic stability of oxothiomolybdenum wheels: crystal structures, studies in solution and DFT calculations JF Lemonnier, A Kachmar, S Floquet, J Marrot, MM Rohmer, M Bénard, ... Dalton Transactions, 4565-4574, 2008 | 17 | 2008 |
| Role of water on the rotational dynamics of the organic methylammonium cation: A first principles analysis RD Hoehn, JS Francisco, S Kais, A Kachmar SCIENtIfIC REPORTs 9 (1), 668, 2019 | 15 | 2019 |
| New insights into the atomic structure of amorphous TiO2 using tight-binding molecular dynamics K Yang, A Kachmar, B Wang, NM Krishnan, M Balonis, G Sant, M Bauchy The Journal of Chemical Physics 149 (9), 2018 | 14 | 2018 |
| New insights in the electrocatalytic proton reduction and hydrogen oxidation by bioinspired catalysts: A DFT investigation A Kachmar, V Vetere, P Maldivi, AA Franco The Journal of Physical Chemistry A 114 (43), 11861-11867, 2010 | 14 | 2010 |
| Effect of Water on the Structural, Optical, and Hot-Carrier Cooling Properties of the Perovskite Material MASnI3 A Kachmar, G Berdiyorov, MEA Madjet The Journal of Physical Chemistry C 123 (7), 4056-4063, 2019 | 13 | 2019 |
| Iodide vs Chloride: The Impact of Different Lead Halides on the Solution Chemistry of Perovskite Precursors W Kaiser, E Radicchi, E Mosconi, A Kachmar, F De Angelis ACS Applied Energy Materials 4 (9), 9827-9835, 2021 | 12 | 2021 |
| Mapping the free energy of lithium solvation in the Protic ionic liquid ethylammonuim nitrate: A metadynamics study A Kachmar, M Carignano, T Laino, M Iannuzzi, J Hutter ChemSusChem 10 (15), 3083-3090, 2017 | 12 | 2017 |
| Dynamic properties of a hexadecamolybdenum wheel: Studies in solution and density functional theory calculations A Kachmar, S Floquet, JF Lemonnier, E Cadot, MM Rohmer, M Bénard Inorganic chemistry 48 (14), 6852-6859, 2009 | 12 | 2009 |
Matthieu MicoulautProfessor of Physics, UPMC Paris, France在 lptl.jussieu.fr 的电子邮件经过验证
