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Steven J. Stuart - Publications

Affiliations: 
Clemson University, Clemson, SC, United States 
Area:
computational chemistry, scientific computing
Website:
https://www.clemson.edu/science/departments/chemistry/people/profiles/ss
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69 high-probability publications. We are testing a new system for linking publications to authors. You can help! If you notice any inaccuracies, please sign in and mark papers as correct or incorrect matches. If you identify any major omissions or other inaccuracies in the publication list, please let us know.

Year Citation  Score
2020 Karabin M, Stuart SJ. Simulated annealing with adaptive cooling rates. The Journal of Chemical Physics. 153: 114103. PMID 32962382 DOI: 10.1063/5.0018725  0.323
2018 Kucukkal TG, Alsaiari F, Stuart SJ. Modeling ion permeation in wild-type and mutant human α7 nachr ion channels Journal of Theoretical and Computational Chemistry. 17: 1850045. DOI: 10.1142/S0219633618500451  0.737
2017 Abramyan TM, Hyde-Volpe DL, Stuart SJ, Latour RA. Application of advanced sampling and analysis methods to predict the structure of adsorbed protein on a material surface. Biointerphases. 12: 02D409. PMID 28514864 DOI: 10.1116/1.4983274  0.412
2017 Kucukkal MU, Stuart SJ. Simulation of carbon nanotube welding through Ar bombardment. Journal of Molecular Modeling. 23: 148. PMID 28365822 DOI: 10.1007/S00894-017-3323-Y  0.726
2015 Li X, Snyder JA, Stuart SJ, Latour RA. TIGER2 with solvent energy averaging (TIGER2A): An accelerated sampling method for large molecular systems with explicit representation of solvent. The Journal of Chemical Physics. 143: 144105. PMID 26472361 DOI: 10.1063/1.4932341  0.34
2015 Abramyan TM, Snyder JA, Yancey JA, Thyparambil AA, Wei Y, Stuart SJ, Latour RA. Parameterization of an interfacial force field for accurate representation of peptide adsorption free energy on high-density polyethylene. Biointerphases. 10: 021002. PMID 25818122 DOI: 10.1116/1.4916361  0.383
2012 Snyder JA, Abramyan T, Yancey JA, Thyparambil AA, Wei Y, Stuart SJ, Latour RA. Development of a tuned interfacial force field parameter set for the simulation of protein adsorption to silica glass. Biointerphases. 7: 56. PMID 22941539 DOI: 10.1007/S13758-012-0056-4  0.42
2012 Hur J, Stuart SJ. Modified reactive empirical bond-order potential for heterogeneous bonding environments. The Journal of Chemical Physics. 137: 054102. PMID 22894327 DOI: 10.1063/1.4738879  0.349
2012 Kucukkal TG, Stuart SJ. Polarizable molecular dynamics simulations of aqueous dipeptides. The Journal of Physical Chemistry. B. 116: 8733-40. PMID 22747103 DOI: 10.1021/Jp300528M  0.762
2012 Collier G, Vellore NA, Yancey JA, Stuart SJ, Latour RA. Comparison between empirical protein force fields for the simulation of the adsorption behavior of structured LK peptides on functionalized surfaces. Biointerphases. 7: 24. PMID 22589067 DOI: 10.1007/S13758-012-0024-Z  0.394
2012 Knippenberg MT, Mikulski PT, Ryan KE, Stuart SJ, Gao G, Harrison JA. Bond-order potentials with split-charge equilibration: application to C-, H-, and O-containing systems. The Journal of Chemical Physics. 136: 164701. PMID 22559498 DOI: 10.1063/1.4704800  0.765
2012 Biswas PK, Vellore NA, Yancey JA, Kucukkal TG, Collier G, Brooks BR, Stuart SJ, Latour RA. Simulation of multiphase systems utilizing independent force fields to control intraphase and interphase behavior. Journal of Computational Chemistry. 33: 1458-66. PMID 22488548 DOI: 10.1002/Jcc.22979  0.774
2012 Abramyan T, Collier G, Kucukkal TG, Li X, Snyder JA, Thyparambil AA, Vellore NA, Wei Y, Yancey JA, Stuart SJ, Latour RA. Understanding protein-surface interactions at the atomistic level through the synergistic development of experimental and molecular simulation methods Acs Symposium Series. 1120: 197-228. DOI: 10.1021/bk-2012-1120.ch009  0.76
2012 Uberuaga BP, Stuart SJ, Windl W, Masquelier MP, Voter AF. Fullerene and graphene formation from carbon nanotube fragments Computational and Theoretical Chemistry. 987: 115-121. DOI: 10.1016/J.Comptc.2011.11.030  0.315
2011 Reppert J, Podila R, Li N, Loebick CZ, Stuart SJ, Pfefferle LD, Rao AM. Curvature-induced symmetry lowering and anomalous dispersion of phonons in single-walled carbon nanotubes Materials Research Society Symposium Proceedings. 1284: 143-148. DOI: 10.1557/Opl.2011.223  0.354
2011 Fallet M, Stuart SJ. Evolution of carbon based surfaces under bombardment: Examining the steady-state surface properties and the effect of potential Nuclear Instruments and Methods in Physics Research Section B: Beam Interactions With Materials and Atoms. 269: 1271-1275. DOI: 10.1016/J.Nimb.2010.12.085  0.74
2011 Reinhold CO, Krstic PS, Stuart SJ, Zhang H, Harris PR, Meyer FW. Isotope dependence of chemical erosion of carbon Journal of Nuclear Materials. 401: 1-12. DOI: 10.1016/J.Jnucmat.2010.03.012  0.424
2011 Podila R, Reppert J, Li N, Loebick CZ, Stuart SJ, Pfefferle LD, Rao AM. Curvature-induced symmetry lowering and anomalous dispersion of the G-band in carbon nanotubes Carbon. 49: 869-876. DOI: 10.1016/J.Carbon.2010.10.033  0.333
2010 Yancey JA, Vellore NA, Collier G, Stuart SJ, Latour RA. Development of molecular simulation methods to accurately represent protein-surface interactions: The effect of pressure and its determination for a system with constrained atoms. Biointerphases. 5: 85-95. PMID 21171722 DOI: 10.1116/1.3493470  0.374
2010 Vellore NA, Yancey JA, Collier G, Latour RA, Stuart SJ. Assessment of the transferability of a protein force field for the simulation of peptide-surface interactions. Langmuir : the Acs Journal of Surfaces and Colloids. 26: 7396-404. PMID 20222735 DOI: 10.1021/La904415D  0.428
2009 Collier G, Vellore NA, Latour RA, Stuart SJ. Development of molecular simulation methods to accurately represent protein-surface interactions: Method assessment for the calculation of electrostatic effects. Biointerphases. 4: 57-64. PMID 20408725 DOI: 10.1116/1.3266417  0.426
2009 Li X, Latour RA, Stuart SJ. TIGER2: an improved algorithm for temperature intervals with global exchange of replicas. The Journal of Chemical Physics. 130: 174106. PMID 19425768 DOI: 10.1063/1.3129342  0.361
2009 Stuart SJ, Fallet M, Krstic PS, Reinhold CO. Evolution of carbon surfaces under simulated bombardment by deuterium Journal of Physics: Conference Series. 194: 012059. DOI: 10.1088/1742-6596/194/1/012059  0.305
2009 Krstic P, Reinhold C, Stuart S. Plasma-surface interactions of hydrogenated carbon Nuclear Instruments and Methods in Physics Research Section B: Beam Interactions With Materials and Atoms. 267: 704-710. DOI: 10.1016/J.Nimb.2008.11.049  0.399
2009 Reinhold C, Krstic P, Stuart S. Hydrogen reflection in low-energy collisions with amorphous carbon Nuclear Instruments and Methods in Physics Research Section B: Beam Interactions With Materials and Atoms. 267: 691-694. DOI: 10.1016/J.Nimb.2008.11.036  0.442
2009 Krstic PS, Hollmann EM, Reinhold CO, Stuart SJ, Doerner RP, Nishijima D, Pigarov AY. Transfer of rovibrational energies in hydrogen plasma–carbon surface interactions Journal of Nuclear Materials. 390: 88-91. DOI: 10.1016/J.Jnucmat.2009.01.096  0.446
2008 Wang F, Stuart SJ, Latour RA. Calculation of adsorption free energy for solute-surface interactions using biased replica-exchange molecular dynamics. Biointerphases. 3: 9-18. PMID 19768127 DOI: 10.1116/1.2840054  0.438
2008 O'Brien CP, Stuart SJ, Bruce DA, Latour RA. Modeling of peptide adsorption interactions with a poly(lactic acid) surface. Langmuir : the Acs Journal of Surfaces and Colloids. 24: 14115-24. PMID 19360943 DOI: 10.1021/La802588N  0.414
2008 Knippenberg MT, Stuart SJ, Cheng H. Molecular dynamics simulations on hydrogen adsorption in finite single walled carbon nanotube bundles. Journal of Molecular Modeling. 14: 343-51. PMID 18286311 DOI: 10.1007/S00894-008-0275-2  0.78
2008 Liu A, Stuart SJ. Empirical bond-order potential for hydrocarbons: adaptive treatment of van der Waals interactions. Journal of Computational Chemistry. 29: 601-11. PMID 17786913 DOI: 10.1002/Jcc.20817  0.761
2008 Hollmann EM, Krstic PS, Doerner RP, Nishijima D, Pigarov AY, Reinhold CO, Stuart SJ. Measurement and modeling of hydrogen molecule ro-vibrational accommodation on E-294 polycrystalline graphite Plasma Physics and Controlled Fusion. 50: 102001. DOI: 10.1088/0741-3335/50/10/102001  0.365
2008 Krstic PS, Reinhold CO, Stuart SJ. Energy and angle spectra of sputtered particles for low-energy deuterium impact of deuterated amorphous carbon Journal of Applied Physics. 104: 103308. DOI: 10.1063/1.3028205  0.342
2007 Li X, O'Brien CP, Collier G, Vellore NA, Wang F, Latour RA, Bruce DA, Stuart SJ. An improved replica-exchange sampling method: temperature intervals with global energy reassignment. The Journal of Chemical Physics. 127: 164116. PMID 17979328 DOI: 10.1063/1.2780152  0.354
2007 Krstic PS, Reinhold CO, Stuart SJ. Chemical sputtering by impact of excited molecules Europhysics Letters (Epl). 77: 33002. DOI: 10.1209/0295-5075/77/33002  0.363
2007 Uberuaga BP, Stuart SJ, Voter AF. Parallel replica dynamics for driven systems: Derivation and application to strained nanotubes Physical Review B - Condensed Matter and Materials Physics. 75. DOI: 10.1103/Physrevb.75.014301  0.349
2007 Krstic PS, Reinhold CO, Stuart SJ. Chemical sputtering from amorphous carbon under bombardment by deuterium atoms and molecules New Journal of Physics. 9: 209-209. DOI: 10.1088/1367-2630/9/7/209  0.413
2007 Meyer FW, Krstic PS, Vergara LI, Krause HF, Reinhold CO, Stuart SJ. Low energy chemical sputtering of ATJ graphite by atomic and molecular deuterium ions Physica Scripta. 2007: 50-54. DOI: 10.1088/0031-8949/2007/T128/010  0.317
2007 Reinhold C, Krstic P, Stuart S. Time scales of chemical sputtering of carbon Nuclear Instruments and Methods in Physics Research Section B: Beam Interactions With Materials and Atoms. 258: 274-277. DOI: 10.1016/J.Nimb.2006.12.136  0.377
2007 Stuart SJ, Krstic PS, Embry TA, Reinhold CO. Methane production by deuterium impact at carbon surfaces Nuclear Instruments and Methods in Physics Research, Section B: Beam Interactions With Materials and Atoms. 255: 202-207. DOI: 10.1016/J.Nimb.2006.11.078  0.431
2006 Knippenberg MT, Stuart SJ, Cooper AC, Pez GP, Cheng H. Physical adsorption strength in open systems. The Journal of Physical Chemistry. B. 110: 22957-60. PMID 17107125 DOI: 10.1021/Jp0647737  0.769
2006 Stuart SJ, Knippenberg MT, Kum O, Krstic PS. Simulation of amorphous carbon with a bond-order potential Physica Scripta. 2006: 58-64. DOI: 10.1088/0031-8949/2006/T124/012  0.357
2005 Cheng H, Cooper AC, Pez GP, Kostov MK, Piotrowski P, Stuart SJ. Molecular dynamics simulations on the effects of diameter and chirality on hydrogen adsorption in single walled carbon nanotubes. The Journal of Physical Chemistry. B. 109: 3780-6. PMID 16851425 DOI: 10.1021/Jp045358M  0.761
2005 Sharma R, Rez P, Treacy MM, Stuart SJ. In situ observation of the growth mechanisms of carbon nanotubes under diverse reaction conditions. Journal of Electron Microscopy. 54: 231-7. PMID 16123070 DOI: 10.1093/Jmicro/Dfi037  0.334
2005 Raut VP, Agashe MA, Stuart SJ, Latour RA. Molecular dynamics simulations of peptide-surface interactions. Langmuir : the Acs Journal of Surfaces and Colloids. 21: 1629-39. PMID 15697318 DOI: 10.1021/La047807F  0.411
2005 Agashe M, Raut V, Stuart SJ, Latour RA. Molecular simulation to characterize the adsorption behavior of a fibrinogen gamma-chain fragment. Langmuir : the Acs Journal of Surfaces and Colloids. 21: 1103-17. PMID 15667197 DOI: 10.1021/La0478346  0.388
2004 Kum O, Dickson BM, Stuart SJ, Uberuaga BP, Voter AF. Parallel replica dynamics with a heterogeneous distribution of barriers: application to n-hexadecane pyrolysis. The Journal of Chemical Physics. 121: 9808-19. PMID 15549854 DOI: 10.1063/1.1807823  0.688
2004 Wilson K, Stuart SJ, Garcia A, Latour RA. A molecular modeling study of the effect of surface chemistry on the adsorption of a fibronectin fragment spanning the 7-10th type III repeats. Journal of Biomedical Materials Research. Part A. 69: 686-98. PMID 15162411 DOI: 10.1002/Jbm.A.30042  0.392
2004 Huhtala M, Krasheninnikov AV, Aittoniemi J, Stuart SJ, Nordlund K, Kaski K. Improved mechanical load transfer between shells of multiwalled carbon nanotubes Physical Review B. 70. DOI: 10.1103/Physrevb.70.045404  0.366
2004 Stuart SJ, Li Y, Kum O, Mintmire JW, Voter AF. Reactive Bond-Order Simulations Using Both Spatial and Temporal Approaches to Parallelism Structural Chemistry. 15: 479-486. DOI: 10.1023/B:Stuc.0000037905.54615.B0  0.389
2003 Cheng H, Cooper AC, Pez GP, Kostov MK, Cole MW, Stuart SJ. A Molecular Dynamics Simulation Study Towards Understanding the Effects of Diameter and Chirality on Hydrogen Adsorption in Singlewalled Carbon Nanotubes Mrs Proceedings. 801. DOI: 10.1557/Proc-801-Bb5.3  0.49
2003 Stuart SJ, Hicks JM, Mury MT. An iterative variable-timestep algorithm for molecular dynamics simulations Molecular Simulation. 29: 177-186. DOI: 10.1080/0892702031000089650  0.365
2003 Kum O, Ree FH, Stuart SJ, Wu CJ. Molecular dynamics investigation on liquid–liquid phase change in carbon with empirical bond-order potentials The Journal of Chemical Physics. 119: 6053-6056. DOI: 10.1063/1.1601216  0.407
2002 Brenner DW, Shenderova OA, Harrison JA, Stuart SJ, Ni B, Sinnott SB. A second-generation reactive empirical bond order (REBO) potential energy expression for hydrocarbons Journal of Physics Condensed Matter. 14: 783-802. DOI: 10.1088/0953-8984/14/4/312  0.403
2001 Krantzman KD, Postawa Z, Garrison BJ, Winograd N, Stuart SJ, Harrison JA. Understanding collision cascades in molecular solids Nuclear Instruments and Methods in Physics Research, Section B: Beam Interactions With Materials and Atoms. 180: 159-163. DOI: 10.1016/S0168-583X(01)00411-6  0.422
2000 Stuart SJ, Dickson BM, Noid DW, Sumpter BG. Hydrocarbon Reactions in Carbon Nanotubes: Pyrolysis Mrs Proceedings. 651. DOI: 10.1557/Proc-651-T7.15.1  0.316
2000 Stuart SJ, Dickson BM, Sumpter BG, Noid DW. Computational Study of Polymerization in Carbon Nanotubes Mrs Proceedings. 651. DOI: 10.1557/Proc-651-T1.8.1  0.374
2000 Stuart SJ, Tutein AB, Harrison JA. A reactive potential for hydrocarbons with intermolecular interactions The Journal of Chemical Physics. 112: 6472-6486. DOI: 10.1063/1.481208  0.385
1999 Stuart SJ, Berne BJ. Surface Curvature Effects in the Aqueous Ionic Solvation of the Chloride Ion The Journal of Physical Chemistry A. 103: 10300-10307. DOI: 10.1021/jp991671q  0.434
1999 Stuart SJ, Berne BJ. Surface curvature effects in the aqueous ionic solvation of the chloride ion Journal of Physical Chemistry A. 103: 10300-10307. DOI: 10.1021/Jp991671Q  0.53
1997 Harrison JA, Stuart SJ, Robertson DH, White CT. Properties of Capped Nanotubes When Used as SPM Tips The Journal of Physical Chemistry B. 101: 9682-9685. DOI: 10.1021/Jp972261+  0.41
1996 Stuart SJ, Zhou R, Berne BJ. Molecular dynamics with multiple time scales: The selection of efficient reference system propagators Journal of Chemical Physics. 105: 1426-1436. DOI: 10.1063/1.472005  0.514
1996 Stuart SJ, Zhou R, Berne BJ. Molecular dynamics with multiple time scales: The selection of efficient reference system propagators The Journal of Chemical Physics. 105: 1426-1436. DOI: 10.1063/1.472005  0.572
1996 Zhou R, Stuart SJ, Berne BJ. Molecular dynamics for nonequilibrium systems in which there are a small number of very hot particles in a cold bath: Reference system propagator methods Journal of Chemical Physics. 105: 235-239. DOI: 10.1063/1.471868  0.532
1996 Zhou R, Stuart SJ, Berne BJ. Molecular dynamics for nonequilibrium systems in which there are a small number of very hot particles in a cold bath: Reference system propagator methods The Journal of Chemical Physics. 105: 235-239. DOI: 10.1063/1.471868  0.589
1996 Stuart SJ, Berne BJ. Effects of Polarizability on the Hydration of the Chloride Ion The Journal of Physical Chemistry. 100: 11934-11943. DOI: 10.1021/jp961076d  0.393
1996 Stuart SJ, Berne BJ. Effects of polarizability on the hydration of the chloride ion Journal of Physical Chemistry. 100: 11934-11943. DOI: 10.1021/Jp961076D  0.497
1995 Rick SW, Stuart SJ, Bader JS, Berne BJ. Fluctuating charge force fields for aqueous solutions Studies in Physical and Theoretical Chemistry. 83: 31-40. DOI: 10.1016/0167-7322(95)00842-7  0.536
1994 Rick SW, Stuart SJ, Berne BJ. Dynamical fluctuating charge force fields: Application to liquid water The Journal of Chemical Physics. 101: 6141-6156. DOI: 10.1063/1.468398  0.437
1994 Rick SW, Stuart SJ, Berne BJ. Dynamical fluctuating charge force fields: Application to liquid water The Journal of Chemical Physics. 101: 6141-6156. DOI: 10.1063/1.468398  0.514
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