James L. Suter
James L. Suter
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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
1462007
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
1422008
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
972015
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
962011
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
892009
Graphene–graphene interactions: friction, superlubricity, and exfoliation
RC Sinclair, JL Suter, PV Coveney
Advanced Materials 30 (13), 1705791, 2018
712018
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
612007
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
602009
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
592008
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
532008
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
422014
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
362015
Influence of surface chemistry and charge on mineral–RNA interactions
JB Swadling, JL Suter, HC Greenwell, PV Coveney
Langmuir 29 (5), 1573-1583, 2013
342013
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
342012
Mercury (II), silver (I) and gold (I) thioether crown chemistry: synthesis, electrochemistry and structures of [(HgBr 2) 2 ([24] aneS 8)],[{Ag 2 ([24] aneS 8)(CF 3 SO 3) 2 …
AJ Blake, WS Li, V Lippolis, A Taylor, M Schröder
Journal of the Chemical Society, Dalton Transactions, 2931-2938, 1998
341998
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
332016
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
242015
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
242001
A study of the molecular and electronic structures of the indium (I) phospholyls [In (η 5-P 2 C 3 Bu t 3)] and [In (η 5-P 3 C 2 Bu t 2)] by X-ray diffraction, photoelectron …
GKB Clentsmith, FGN Cloke, MD Francis, JC Green, PB Hitchcock, ...
Journal of the Chemical Society, Dalton Transactions, 1715-1721, 2000
242000
Micromechanical exfoliation of graphene on the atomistic scale
RC Sinclair, JL Suter, PV Coveney
Physical Chemistry Chemical Physics 21 (10), 5716-5722, 2019
232019
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