An atomistic characterization of the interplay between composition, structure and mechanical properties of amorphous geopolymer binders MR Sadat, S Bringuier, K Muralidharan, K Runge, A Asaduzzaman, ...
Journal of Non-Crystalline Solids 434, 53-61, 2016
84 2016 Size-dependent permittivity and intrinsic optical anisotropy of nanometric gold thin films: a density functional theory study S Laref, J Cao, A Asaduzzaman, K Runge, P Deymier, RW Ziolkowski, ...
Optics express 21 (10), 11827-11838, 2013
67 2013 A molecular dynamics study of the role of molecular water on the structure and mechanics of amorphous geopolymer binders MR Sadat, S Bringuier, A Asaduzzaman, K Muralidharan, L Zhang
The Journal of chemical physics 145 (13), 2016
66 2016 Degradation mechanism of methyl mercury selenoamino acid complexes: a computational study AM Asaduzzaman, G Schreckenbach
Inorganic chemistry 50 (6), 2366-2372, 2011
51 2011 Environmental mercury chemistry–in silico A Asaduzzaman, D Riccardi, AT Afaneh, CJ Cooper, JC Smith, F Wang, ...
Accounts of Chemical Research 52 (2), 379-388, 2019
49 2019 Adsorption of uranyl species onto the rutile (110) surface: A periodic DFT study QJ Pan, SO Odoh, AM Asaduzzaman, G Schreckenbach
Chemistry–A European Journal 18 (5), 1458-1466, 2012
45 2012 Characterization of graphene–fullerene interactions: Insights from density functional theory S Laref, AM Asaduzzaman, W Beck, PA Deymier, K Runge, L Adamowicz, ...
Chemical Physics Letters 582, 115-118, 2013
44 2013 Structural and electronic properties of Au, Pt, and their bimetallic nanowires AM Asaduzzaman, M Springborg
Physical Review B—Condensed Matter and Materials Physics 72 (16), 165422, 2005
43 2005 Interface exchange coupling in Co nanoparticles dispersed in a Mn matrix C Binns, N Domingo, AM Testa, D Fiorani, KN Trohidou, M Vasilakaki, ...
Journal of Physics: Condensed Matter 22 (43), 436005, 2010
39 2010 Computational studies on the interactions among redox couples, additives and TiO 2: implications for dye-sensitized solar cells AM Asaduzzaman, G Schreckenbach
Physical Chemistry Chemical Physics 12 (43), 14609-14618, 2010
39 2010 Structural and electronic properties of AM Asaduzzaman, M Springborg
Physical Review B—Condensed Matter and Materials Physics 74 (16), 165406, 2006
37 2006 Incorporation of water into olivine during nebular condensation: Insights from density functional theory and thermodynamics, and implications for phyllosilicate formation and … A Asaduzzaman, K Muralidharan, J Ganguly
Meteoritics & Planetary Science 50 (4), 578-589, 2015
35 2015 Computational study of the ground state properties of iodine and polyiodide ions A Md Asaduzzaman, G Schreckenbach
Theoretical Chemistry Accounts 122, 119-125, 2009
34 2009 Interactions of the N3 dye with the iodide redox shuttle: quantum chemical mechanistic studies of the dye regeneration in the dye-sensitized solar cell AM Asaduzzaman, G Schreckenbach
Physical Chemistry Chemical Physics 13 (33), 15148-15157, 2011
33 2011 Synthesis, characterization and structures of methylmercury complexes with selenoamino acids MAK Khan, AM Asaduzzaman, G Schreckenbach, F Wang
Dalton Transactions, 5766-5772, 2009
33 2009 Atomic structure and magnetic moments in cluster-assembled nanocomposite Fe/Cu films SH Baker, AM Asaduzzaman, M Roy, SJ Gurman, C Binns, JA Blackman, ...
Physical Review B—Condensed Matter and Materials Physics 78 (1), 014422, 2008
31 2008 Chalcogenophilicity of mercury AM Asaduzzaman, G Schreckenbach
Inorganic chemistry 50 (8), 3791-3798, 2011
29 2011 Computational Studies of the Interaction between Ruthenium Dyes and X− and X2 − , X = Br, I, At. Implications for Dye-Sensitized Solar Cells CH Hu, AM Asaduzzaman, G Schreckenbach
The Journal of Physical Chemistry C 114 (35), 15165-15173, 2010
29 2010 Computational studies of structural, electronic, spectroscopic, and thermodynamic properties of methylmercury-amino acid complexes and their Se analogues AM Asaduzzaman, MAK Khan, G Schreckenbach, F Wang
Inorganic chemistry 49 (3), 870-878, 2010
29 2010 A first-principles characterization of water adsorption on forsterite grains AM Asaduzzaman, S Laref, PA Deymier, K Runge, HP Cheng, ...
Philosophical Transactions of the Royal Society A: Mathematical, Physical …, 2013
28 2013 