| 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 | 67 | 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 | 66 | 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 | 61 | 2016 |
| Degradation mechanism of methyl mercury selenoamino acid complexes: a computational study AM Asaduzzaman, G Schreckenbach Inorganic chemistry 50 (6), 2366-2372, 2011 | 48 | 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 | 46 | 2019 |
| Structural and electronic properties of Au, Pt, and their bimetallic nanowires AM Asaduzzaman, M Springborg Physical Review B 72 (16), 165422, 2005 | 43 | 2005 |
| 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 | 42 | 2013 |
| 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 | 42 | 2012 |
| Structural and electronic properties of Si∕ Ge nanoparticles AM Asaduzzaman, M Springborg Physical Review B 74 (16), 165406, 2006 | 36 | 2006 |
| 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 | 35 | 2010 |
| 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 | 34 | 2010 |
| 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 | 32 | 2011 |
| 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 | 31 | 2015 |
| Synthesis, characterization and structures of methylmercury complexes with selenoamino acids MAK Khan, AM Asaduzzaman, G Schreckenbach, F Wang Dalton Transactions, 5766-5772, 2009 | 31 | 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 78 (1), 014422, 2008 | 30 | 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 |
| 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 | 27 | 2013 |
| 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 | 27 | 2010 |
