2006
Polymer Chain Winding in the Melt Journal Article
In: Macromolecules, vol. 39, no. 6, pp. 2330–2339, 2006.
Molecule-Based Coarse-Graining for Polymer Simulation Book Section
In: Rieth, Michael; Schommers, Wolfram (Ed.): Handbook of Theoretical and Computational Nanotechnology, pp. 463–517, 2006.
2005
Optimal confinement for internal polymer binding Journal Article
In: Europhysics Letters (EPL), vol. 72, no. 6, pp. 922–928, 2005.
Concurrent dual-resolution Monte Carlo simulation of liquid methane Journal Article
In: The Journal of Chemical Physics, vol. 123, no. 23, pp. 234101, 2005.
Chemotaxis and random motility in unsteady chemoattractant fields: A computational study Journal Article
In: Journal of Theoretical Biology, vol. 235, no. 2, pp. 221–232, 2005.
Effects of Confinement on the Thermodynamics of a Collapsing Heteropolymer: An Off-Lattice Wang-Landau Monte Carlo Simulation Study Journal Article
In: Macromolecules, vol. 38, no. 12, pp. 5321–5329, 2005.
Fundamental Limits of Efficacy of Intercellular Communication by Diffusion Journal Article
In: Journal of the Physical Society of Japan, vol. 74, no. 4, pp. 1139–1141", 2005.
Structural correlations in comb heteropolymers in good and backbone-selective solvents Journal Article
In: Journal of Polymer Science Part B: Polymer Physics, vol. 43, no. 8, pp. 983–993, 2005.
2004
Polysoaps in Backbone-Selective Solvents: Effects of Side-Chain Length on Collapse Dynamics Journal Article
In: Soft Materials, vol. 2, no. 1, pp. 11–25, 2004.
Kinetics of a polysoap collapse Journal Article
In: The Journal of Chemical Physics, vol. 121, no. 15, pp. 7484–7493, 2004.
Simulations of Chemotaxis and Random Motility in Finite Domains Journal Article
In: MRS Proceedings, vol. 845, 2004.
Swelling Dynamics of Collapsed Polymers Journal Article
In: Macromolecules, vol. 37, no. 2, pp. 651–661, 2004.
Inhomogeneous Coarse-Graining of Polymers and Polymer/Metal Interfaces Book Section
In: Attig, N.; Binder, K.; Grubmüller, H.; Kremer, K. (Ed.): Computational Soft Matter: From Synthetic Polymers to Proteins, vol. 32, pp. 275–288, 2004.
Dual Resolution Molecular Simulation of Bisphenol-A Polycarbonate Adsorption onto Nickel (111): Chain Length Effects Book Section
In: Attinger, S.; Koumoutsakos, P. (Ed.): Multiscale Modeling and Simulation, vol. 39, pp. 131–142, Springer, 2004.
2003
Arrested Swelling of Highly Entangled Polymer Globules Journal Article
In: Physical Review Letters, vol. 90, no. 22, 2003.
Adsorption energies and geometries of phenol on the (111) surface of nickel: An ab initio study Journal Article
In: Physical Review B, vol. 67, no. 19, 2003.
Dual-resolution coarse-grained simulation of the bisphenol-A-polycarbonate/nickel interface Journal Article
In: Physical Review E, vol. 67, no. 2, 2003.
Combined Coarse-Grained and Atomistic Simulation of Liquid Bisphenol-A-Polycarbonate: Liquid Packing and Intramolecular Structure Journal Article
In: Macromolecules, vol. 36, no. 1, pp. 260–267, 2003.
2002
Polymers near Metal Surfaces: Selective Adsorption and Global Conformations Journal Article
In: Physical Review Letters, vol. 89, no. 15, 2002.
Collapse dynamics of a polymer chain: Theory and simulation Journal Article
In: Europhysics Letters (EPL), vol. 59, no. 3, pp. 391–397, 2002.
Effects of excluded volume and bond length on the dynamics of dense bead-spring polymer melts Journal Article
In: The Journal of Chemical Physics, vol. 116, no. 7, pp. 3162–3165, 2002.
Multiscale Computer Simulations for Polymeric Materials in Bulk and near Surfaces Book Section
In: Nielaba, P.; Mareschal, M.; Ciccotti, G. (Ed.): Bridging Time Scales: Molecular Simulations for the Next Decade, vol. 605, pp. 143, Springer, 2002.
2001
The effect of bond length on the structure of dense bead-spring polymer melts Journal Article
In: The Journal of Chemical Physics, vol. 115, no. 6, pp. 2776–2785, 2001.
Atomistic simulation of fluorocarbon deposition on Si by continuous bombardment with energetic CF+ and CF2+ Journal Article
In: Journal of Vacuum Science & Technology A: Vacuum, Surfaces, and Films, vol. 19, no. 1, pp. 175–181, 2001.
2000
Atomistic simulation of silicon bombardment by energetic CF3+: Product distributions and energies Journal Article
In: Thin Solid Films, vol. 374, no. 2, pp. 150–156, 2000.
Molecular dynamics simulations of Si etching with energetic F+: Sensitivity of results to the interatomic potential Journal Article
In: Journal of Applied Physics, vol. 88, no. 6, pp. 3734–3738, 2000.
New C-F interatomic potential for molecular dynamics simulation of fluorocarbon film formation Journal Article
In: Journal of Vacuum Science & Technology A: Vacuum, Surfaces, and Films, vol. 18, no. 3, pp. 938–945, 2000.
On the active surface layer in CF3+ etching of Si: Atomistic simulation and a simple mass balance model Journal Article
In: Journal of Vacuum Science & Technology A: Vacuum, Surfaces, and Films, vol. 18, no. 2, pp. 411–416, 2000.
1999
Molecular dynamics simulations of Si etching by energetic CF3+ Journal Article
In: Journal of Applied Physics, vol. 86, no. 11, pp. 5938–5948, 1999.
Cu sputtering and deposition by off-normal, near-threshold Cu+ bombardment: Molecular dynamics simulations Journal Article
In: Journal of Applied Physics, vol. 86, no. 4, pp. 2263–2267, 1999.
In: IEEE Transactions on Plasma Science, vol. 27, no. 5, pp. 1426–1432, 1999.
Feature evolution simulations of copper seed layer deposition using atomic-level particle scattering information Journal Article
In: IEEE Transactions on Plasma Science, vol. 27, no. 5, pp. 1433–1440, 1999.
1998
Energetic ion bombardment of SiO2 surfaces: Molecular dynamics simulations Journal Article
In: Journal of Vacuum Science & Technology A: Vacuum, Surfaces, and Films, vol. 16, no. 5, pp. 3006–3019, 1998.
1997
Biphasic Autoxidation of Tetralin Catalyzed by Surface-Active Transition Metal Complexes Journal Article
In: The Journal of Physical Chemistry B, vol. 101, no. 4, pp. 596–602, 1997.
1995
In: Industrial & Engineering Chemistry Research, vol. 34, no. 5, pp. 1529–1535, 1995.