Large-scale molecular dynamics study of montmorillonite clay: emergence of undulatory fluctuations and determination of material properties JL Suter, PV Coveney, HC Greenwell, MA Thyveetil The Journal of Physical Chemistry C 111 (23), 8248-8259, 2007 | 179 | 2007 |
Computer simulation study of the structural stability and materials properties of DNA-intercalated layered double hydroxides MA Thyveetil, PV Coveney, HC Greenwell, JL Suter Journal of the American Chemical Society 130 (14), 4742-4756, 2008 | 155 | 2008 |
Chemically Specific Multiscale Modeling of Clay–Polymer Nanocomposites Reveals Intercalation Dynamics, Tactoid Self‐Assembly and Emergent Materials Properties JL Suter, D Groen, PV Coveney Advanced Materials 27 (6), 966-984, 2015 | 136 | 2015 |
Graphene–graphene interactions: friction, superlubricity, and exfoliation RC Sinclair, JL Suter, PV Coveney Advanced Materials 30 (13), 1705791, 2018 | 131 | 2018 |
Rule based design of clay-swelling inhibitors JL Suter, PV Coveney, RL Anderson, HC Greenwell, S Cliffe Energy & Environmental Science 4 (11), 4572-4586, 2011 | 128 | 2011 |
Principles governing control of aggregation and dispersion of graphene and graphene oxide in polymer melts JL Suter, RC Sinclair, PV Coveney Advanced Materials 32 (36), 2003213, 2020 | 116 | 2020 |
Recent advances in large-scale atomistic and coarse-grained molecular dynamics simulation of clay minerals JL Suter, RL Anderson, HC Greenwell, PV Coveney Journal of Materials Chemistry 19 (17), 2482-2493, 2009 | 110 | 2009 |
Micromechanical exfoliation of graphene on the atomistic scale RC Sinclair, JL Suter, PV Coveney Physical Chemistry Chemical Physics 21 (10), 5716-5722, 2019 | 99 | 2019 |
Computer simulation study of the materials properties of intercalated and exfoliated poly (ethylene) glycol clay nanocomposites JL Suter, PV Coveney Soft Matter 5 (11), 2239-2251, 2009 | 73 | 2009 |
Emergence of undulations and determination of materials properties in large-scale molecular dynamics simulation of layered double hydroxides MA Thyveetil, PV Coveney, JL Suter, HC Greenwell Chemistry of Materials 19 (23), 5510-5523, 2007 | 67 | 2007 |
Role of host layer flexibility in DNA guest intercalation revealed by computer simulation of layered nanomaterials MA Thyveetil, PV Coveney, HC Greenwell, JL Suter Journal of the American Chemical Society 130 (37), 12485-12495, 2008 | 66 | 2008 |
Adsorption of a sodium ion on a smectite clay from constrained ab initio molecular dynamics simulations JL Suter, ES Boek, M Sprik The Journal of Physical Chemistry C 112 (48), 18832-18839, 2008 | 59 | 2008 |
Mechanism of exfoliation and prediction of materials properties of clay–polymer nanocomposites from multiscale modeling JL Suter, D Groen, PV Coveney Nano letters 15 (12), 8108-8113, 2015 | 56 | 2015 |
Performance of distributed multiscale simulations J Borgdorff, M Ben Belgacem, C Bona-Casas, L Fazendeiro, D Groen, ... Philosophical Transactions of the Royal Society A: Mathematical, Physical …, 2014 | 49 | 2014 |
FabSim: Facilitating computational research through automation on large-scale and distributed e-infrastructures D Groen, AP Bhati, J Suter, J Hetherington, SJ Zasada, PV Coveney Computer Physics Communications 207, 375-385, 2016 | 46 | 2016 |
Free energies of absorption of alkali ions onto beidellite and montmorillonite surfaces from constrained molecular dynamics simulations JL Suter, M Sprik, ES Boek Geochimica et cosmochimica acta 91, 109-119, 2012 | 43 | 2012 |
Influence of surface chemistry and charge on mineral–RNA interactions JB Swadling, JL Suter, HC Greenwell, PV Coveney Langmuir 29 (5), 1573-1583, 2013 | 41 | 2013 |
Ab initio molecular dynamics study of the interlayer and micropore structure of aqueous montmorillonite clays JL Suter, L Kabalan, M Khader, PV Coveney Geochimica et Cosmochimica Acta 169, 17-29, 2015 | 39 | 2015 |
Towards the design of new and improved drilling fluid additives using molecular dynamics simulations RL Anderson, HC Greenwel, JL Suter, RM Jarvis, PV Coveney Anais da Academia Brasileira de Ciências 82, 43-60, 2010 | 30 | 2010 |
A study of the molecular and electronic structure of iron (ii) and ruthenium (ii) 1, 3-di-and 1, 2, 4-tri-phospholyl sandwich compounds by photoelectron spectroscopy and … R Bartsch, FGN Cloke, JC Green, RM Matos, JF Nixon, RJ Suffolk, ... Journal of the Chemical Society, Dalton Transactions, 1013-1022, 2001 | 29 | 2001 |