| Structure and dynamics of graphite-supported bimetallic nanoclusters SP Huang, DS Mainardi, PB Balbuena Surface Science 545 (3), 163-179, 2003 | 215 | 2003 |
| Monte Carlo Simulation of Cu-Ni Nanoclusters: Surface Segregation Studies DS Mainardi, PB Balbuena Langmuir 17 (6), 2047, 2001 | 75 | 2001 |
| Multi-scale modeling and experimental investigations of geopolymeric gels at elevated temperatures K Kupwade-Patil, F Soto, A Kunjumon, EN Allouche, DS Mainardi Computers & Structures 122, 164-177, 2013 | 69 | 2013 |
| Kinetics of Hydrogen Desorption in NaAlH4 and Ti-Containing NaAlH4 GKP Dathar, DS Mainardi The Journal of Physical Chemistry C 114 (17), 8026-8031, 2010 | 44 | 2010 |
| Surface segregation in bimetallic nanoclusters: geometric and thermodynamic effects DS Mainardi, PB Balbuena International Journal of Quantum Chemistry 85 (4‐5), 580-591, 2001 | 44 | 2001 |
| Hydrogen and Oxygen Adsorption on Rhn (n = 1−6) Clusters DS Mainardi, PB Balbuena The Journal of Physical Chemistry A 107 (48), 10370-10380, 2003 | 39 | 2003 |
| Dynamic Monte Carlo simulations of O2 adsorption and reaction on Pt (1 1 1) DS Mainardi, SR Calvo, APJ Jansen, JJ Lukkien, PB Balbuena Chemical physics letters 382 (5-6), 553-560, 2003 | 38 | 2003 |
| Quantum chemical modeling of methanol oxidation mechanisms by methanol dehydrogenase enzyme: Effect of substitution of calcium by barium in the active site NB Idupulapati, DS Mainardi The Journal of Physical Chemistry A 114 (4), 1887-1896, 2010 | 27 | 2010 |
| A DMol3 study of the methanol addition–elimination oxidation mechanism by methanol dehydrogenase enzyme NB Idupulapati, DS Mainardi Molecular Simulation 34 (10-15), 1057-1064, 2008 | 19 | 2008 |
| Structure and dynamics of Ti–Al–H compounds in Ti-doped NaAlH4 GKP Dathara, DS Mainardi Molecular Simulation 34 (2), 201-210, 2008 | 19 | 2008 |
| Kinetics of Nitric Oxide and Oxygen Gases on Porous Y-Stabilized ZrO2-Based Sensors S Killa, L Cui, EP Murray, DS Mainardi Molecules 18 (8), 9901-9918, 2013 | 18 | 2013 |
| Coordination and binding of ions in Ca2+-and Ba2+-containing methanol dehydrogenase and interactions with methanol NB Idupulapati, DS Mainardi Journal of Molecular Structure: THEOCHEM 901 (1-3), 72-80, 2009 | 18 | 2009 |
| Geometry and Stability of BenCm (n = 1−10; m = 1, 2, ..., to 11 − n) Clusters MM Ghouri, L Yareeda, DS Mainardi The Journal of Physical Chemistry A 111 (50), 13133-13147, 2007 | 18 | 2007 |
| Design and applications of nanomaterials for sensors JM Seminario Springer, 2014 | 10 | 2014 |
| Modeling and simulation of electromutagenic processes for multiscale modification of concrete J Kanno, N Richardson, J Phillips, K Kupwade-Patil, DS Mainardi, ... Journal of Systemics, Cybernetics and Informatics 7 (2), 69-74, 2009 | 9 | 2009 |
| Nanotechnology for fuel cell applications NP Mahalik, DS Mainardi, NP Mahalik Micromanufacturing and nanotechnology, 425-440, 2006 | 8 | 2006 |
| In Search of Initial Predictors of Fischer–Tropsch Catalytic Activity S Gyawali, S Godara, FA Soto, DS Mainardi IEEE Transactions on Nanotechnology 15 (5), 738-745, 2016 | 7 | 2016 |
| Two-dimensional atomically thin Pt layers on MXenes: The role of electronic effects during catalytic dehydrogenation of ethane and propane Z Li, TK Misicko, F Yang, X Liu, Z Wu, X Gao, T Ma, JT Miller, DS Mainardi, ... Nano Research 17 (3), 1251-1258, 2024 | 5 | 2024 |
| A bibliometric study of Chitosan Applications: Insights from processes F Lopez Muñoz, A García-Perez, VO Cárdenas Concha, S Meramo, ... Revista Ion 36 (1), 59-78, 2023 | 5 | 2023 |
| Examination of Precursors in Fly Ash for Development of an Engineered Geopolymer Concrete F Soto, K Kupwade-Patil, M Dhakal, S NaraseGowda | 4 | 2013 |
KUNAL KUPWADE-PATILResearch Scientist, Massachusetts Institute of TechnologyVerified email at mit.edu