Publication List (student authors in this color!)

Note: Please contact me in order to get full reprints.

E. Maldonado and M.W. Roth, “Direct two – phase numerical simulation of snowdrift remediation using three – dimensional deflection fins”, to appear, J. App. Fluid Mech., 6 (1) (2013). abstract

M.W. Roth, M.K. Balasubramanya, MP. Bergmann, M. Karl, M.J. Connolly and Paul A. Gray, "Predicted anomalous behavior of C60 fullerenes on graphite at low temperature: a new hindered cooperative rotational transition",
J. Theor. Comp. Nanosci. 8 (1-5) 2011. abstract 

L. Firlej, B. Kuchta, M.W. Roth, and C. Wexler, “Molecular Simulations of Intermediate and Long Alkanes Adsorbed on Graphite:  Tuning of Non-Bond Interactions”, J. Mol. Modeling 

(published on line (2010) abstract

M.J. Connolly, E. Maldonado and M.W. Roth, “The Development of a three – dimensional Material Point Method computer simulation algorithm for bullet impact studies”, Am. J. Undergrad. Res., 9 (2 & 3) 33-40  (2010). abstract

M.W. Roth, M. Kaspar, Carlos Wexler, L. Firlej and B. Kuchta, “Molecular Dynamics simulations of submonolayer hexane and pentane films on  graphite”.

Mol. Sim. 36, (4), 326 – 333 (2010); doi:10.1080/08927020903437839. abstract

Carlos Wexler, L. Firlej, B. Kuchta  and M.W. Roth, “Melting of hexane monolayers adsorbed on graphite: the role of domains and defect formation”, Langmuir  25(12), 6596–6598 (2009). abstract


E. Maldonado, M.W. Roth and Paul A. Gray, “Fully atomistic Molecular Dynamics simulations of the behavior of crude oil confined between graphene planes”, ACS Appl. Mat  & Int..,1 (6) 1211-1217 (2009). abstract

C.J. Massina, M.W. Roth and Paul A. Gray, “Deterministic Computer Simulations of Grazing Impacts on Planetary Surfaces Am. J. Undergrad. Res. 8 (1) 15-22 (2009). abstract

J. L. Dean, M.W. Roth and Paul A. Gray, “Material Point Method Investigations of Trauma to Fluids and Elastic Solids due to Finite Barriers”, Am. J. Undergrad. Res. 7 (4) 7-15 (2009). abstract

L. Firlej, B. Kuchta, M.W. RothM.J. Connolly and Carlos Wexler, Structural and Phase Properties of Tetracosane (C24H50) Monolayers Adsorbed on Graphite: An Explicit Hydrogen Molecular Dynamics Study,
24 (21), 12392–12397, 2008. abstract

 “The adsorption structures of C60 on graphite and Al(111)” H. Shin, K. Pussi, H. I. Li, R. D. Diehl, M. Karl, M.K. Balasubramanya, M.J. Connolly, and M.W. Roth

9th International Conference on the Structure of Surfaces, Salvadore, Brazil, August 3 – 8, 2008. abstract

E. Maldonado and M.W. Roth, “Deterministic computer simulations of noble gas disks orbiting C60 fullerenes”, J. Comput. Theor. Nanosci., 5 (11), 1-8 (2008). abstract

Peter Pfeifer et al., "High-surface-area biocarbons for reversible on-board storage of natural gas and hydrogen",  Invited paper in: Life Cycle Analysis 
for New Energy Conversion and Storage Systems, eds. V.M. Fthenakis, A.C. Dillon, and N. Savage, Mater. Res. Soc. Symp. Proc. 1041

M.J. Connolly,
M.W. Roth, Carlos Wexler and Paul A. Gray, "Explicit hydrogen molecular dynamics simulations of hexane deposited onto graphite at
various coverages",
Langmuir 24, 3228 (2008). abstract

M.K. Balasubramanya, M.W. Roth , P. Tilton and B.Suchy, Molecular dynamics simulations of noble gas release from endohedral fullerene
aggregates due to cage disintegration, 
J. Comput. Theor. Nanosci. 5, 627–634 (2008)abstract

M.J. Connolly, M.W. Roth, Carlos Wexler and Paul A. Gray, "Molecular – Dynamics simulations of hexane deposited onto graphite: 
an explicit – hydrogen model at ρ = 1", Am. J. Undergrad. Res. 6 (1) 1 (2007). abstract

P. Tilton, B. Suchy, M.K. Balasubramanya and M.W. Roth, "Simulated dynamics of Ne@C60 clusters beyond dissociation", Mol. Sim. 33 (11) 951 (2007). abstract

C.L. Pint, M.W. Roth and Carlos Wexler, “Behavior of Hexane on Graphite at Near-Monolayer Coverages; Molecular Dynamics study,” selected for the 
Virtual Journal of
Nanoscale Science and Technology, 13(10), (2006). abstract

C.L. Pint, M.W. Roth and Carlos Wexler, “On the Behavior of hexane on graphite at near – monolayer coverages”, Phys. Rev. B. 73, 85422 (2006). abstract

C.L. Pint and M.W. Roth, “Simulated effects of odd-alkane impurities in hexane adlayers on graphite”, Phys. Rev. B. 73, 115404 (2006). abstract

Nathan G. Beougher, Jason McIntosh, Jason A. Djuren, M.W. Roth , Carlos Wexler and Carl Thurman, “Using Molecular Dynamics Simulations to model the DC electrical Behavior of Confined Layers, Am. J. Undergrad. Res. 5 (1) 1 (2006). abstract

C.L. Pint and Michael W. Roth, “Simulation Study of Confinement Effects on the Melting Transition in Hexane and Decane Monolayers Between 
Two Graphite Slabs”, Mater. Res. Symp. Proc. paper #0899-N07-21 (2005) . abstract

C.L. Pint, M.W. Roth and Carlos Wexler, "Transition Mechanisms and Phases of Hexane Physisorbed onto Graphite,"Proceedings of the 2005 NSTI Nanotechnology and Trade Show 2, 365-368 (2005). abstract

M.W. Roth, C.L. Pint and Carlos Wexler, "Phase  transitions in hexane monolayers physisorbed onto graphite", Phys. Rev. B, 71, 155427 (2005). abstract

W. Even, J. Smith and M.W. Roth, “Molecular dynamics simulations of noble gases encapsulated in C60 Fullerene”, Mol. Sim. 31(4), 207 (2005). abstract

M.W.. Roth and J. Mesensteva, “Atomistic simulations of rare gas transport through breathable single wall nanotubes with constrictions and knees”, Mol. Sim. 30(10), 661 (2004). abstract

E. Chamberlin and M.W. Roth, “Understanding Layer Promotion and Its Relationship to Melting in Krypton on Graphite Using Artificial Constraints”, Am. J. Undergrad. Res. 2(4), 13 (2004). abstract

 K Bader and M.W.Roth, “Simulated behavior of krypton/argon mixtures confined between two graphite slabs: new terrain for familiar systems”, Surf. Sci. 538(1-2) 30 (2003). abstract

 C. Leerberg and M.W. Roth, “Computer modeling of pool games: sensitivity of outcomes to initial conditions”, Am. J. Undergrad. Res. 1(4), 27 (2003). abstract

M.W. Roth, C.M. Wilson and M.Z. Iqbal, “Transient state groundwater flow in various geometries with many wells and impermeable barriers: analytical methods”, Hydrol.  Process., 17, 3519 (2003) . abstract


W. Even, J. Smith, M.W. Roth and H.A. Schuessler, “Calculated Electronic Behavior and Spectrum of Mg+@C60 Using a Simple Jellium-shell Model”, Int. J. Mol. Sci .5, 333-346 (2004). abstract

W. Even and M.W. Roth, “A new method for simulating the effects of collisions on planets”, Am. J. Undergrad. Res. 1(3) , 1 (2002). abstract

C. Wilson, M.W. Roth and M.Z. Iqbal,“Hydrologic contaminant transport modeling: a novel analytical and computational approach”, Am. J. Undergrad. Res. 1(2), 1 (2002). abstract

K Bader and M.W.Roth, “Predicted effects of confinement on the melting transition in krypton-argon adlayers”,  Am. J. Undergrad. Res. 1 (1), 9 (2002). abstract

M.W. Roth and Iradge Ahrabi-Fard, “Integration of Volleyball Practice and Competition in Diverse Atmospheric Settings Using Computer Simulations of Passing Jump Serves”, Int. J. Volleyball Res., 5(1) 18 (2002). abstract                                                                                                          

M.W. Roth and Iradge Ahrabi-Fard, “Passing a serve in different air densities”, Coaching Volleyball, Oct/Nov 2001, pp. 16-19. abstract

M. W. Roth, “A Computer Simulation Study of the Likelihood of Stray Balls from {a local} Complex,” Technical Report, 2001. confidential communication

M. Chandross, E.B. Webb, G.S. Grest, M.G. Martin, A.P. Thompson and M.W. Roth, “Dynamics and exchange at gas-zeolite interfaces I: pure component butane and isobutane”, J. Phys. Chem. B 105, 5700 (2001). abstract

M.K. Balasubramanya and M.W. Roth, “Calculated phase boundary including corrugation effects for krypton layers physisorbed onto spherical substrates”, Phys. Rev. B 63, 205425 (2001). abstract

M.W. Roth and M.K.Balasubramanya, “Predicted properties and melting transition of krypton layers physisorbed onto Lennard-Jones spheres”, Phys. Rev. B. 62, 17043 (2000). abstract

M.W. Roth and M. Salazar, “The role of bond-orientational order and the nature of the melting transition in an incommensurate physisorbed monolayer:argon on graphite”, Surf. Sci. 441, 270 (1999). abstract

M. W. Roth, “The nature of the melting transition for a mixed monolayer  system physisorbed onto graphite: argon and krypton patch impurities”, Langmuir 15, 2169 (1999). abstract                                      

M. W. Roth, “The bond-orientational structure and melting signature of a krypton monolayer physisorbed onto graphite at complete coverage”, Phys. Rev. B. 57, 12520 (1998). abstract                                  

M. W. Roth, “Finite computational cell size effects and nature of the melting transition of Kr adlayers deposited on graphite”, Phys. Rev.B 51, 7778 (1995). abstract

S. Kumar, M. Roth, R.D Etters and B. Kuchta, “Size dependence of the orientational disorder and melting transitions of finite N2 islands deposited on graphite”, J. Chem. Phys. 97(5), 1 (1992). abstract

M. Roth and R.D Etters, “Melting transition and properties of the plastic crystal and fluid phases of N2 deposited on graphite”, Phys. Rev. B 44, 6851 (1991). abstract

R.D. Etters, M.W. Roth and B. Kuchta, “Calculated melting behavior of partial and complete N2  monolayers deposited on graphite”, Phys. Rev. Lett. 25, 3140 (1990). abstract


Last updated: January 7, 2011

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