Thermal Effects on CH3 NH3 PbI3 Perovskite from Ab Initio Molecular Dynamics Simulations MA Carignano, A Kachmar, J Hutter
The Journal of Physical Chemistry C 119 (17), 8991-8997, 2015
144 2015 Structure, topology, rings, and vibrational and electronic properties of Ge M Micoulaut, A Kachmar, M Bauchy, S Le Roux, C Massobrio, M Boero
Physical Review B—Condensed Matter and Materials Physics 88 (5), 054203, 2013
102 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
72 2016 A New Class of Efficient Electrocatalysts for the Reduction of Protons into Hydrogen Based on the [Mo2 O2 S2 ]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
56 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
55 2018 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
46 2017 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
46 2014 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
34 2009 Crystallization properties of arsenic doped GST alloys VE Madhavan, M Carignano, A Kachmar, KS Sangunni
Scientific reports 9 (1), 12985, 2019
28 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 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
20 2021 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
19 2020 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 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
14 2021 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 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
13 2017 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
12 2019 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, FranceZweryfikowany adres z lptl.jussieu.fr
