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Publications in area "Molecular Simulation"

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Title Published SHARCNET Authors Area
21. Glassy dynamics, aging in mobility, and structural relaxation of strongly adsorbed polymer films: Corrugation or confinement? 2007 D. Mukherji and M. H. Müser Molecular Simulation
22. Computer simulations of undercooled fluids and glasses 2007 K. Binder, D. Herzbach, J. Horbach, and M. H. Müser Molecular Simulation
23. Contact mechanics of real vs. randomly rough surfaces: A Green's function molecular dynamics study 2007 C. Campana and M. H. Müser Molecular Simulation
24. Interpretation of experiments on ZDDP anti-wear films through pressure-induced cross-linking 2006 N. J. Mosey, T. K. Woo, M. Kasrai, P. R. Norton, G. M. Bancroft, and M. H. Müser Molecular Simulation
25. A generalization of the charge equilibration method for non-metallic materials 2006 R. A. Nistor, J. G. Polihronov, M. H. Müser, and N. J. Mosey Molecular Simulation
26. Practical Green's function approach to the simulation of elastic, semi-infinite solids 2006 C. Campana and M. H. Müser Molecular Simulation
27. Possible explanation of the lambda-shape anomaly in polymer surface diffusion 2006 D. Mukherji and M. H. Müser Molecular Simulation
28. On the orientation of lamellar block copolymer phases under shear 2006 B. Fraser, C. Denniston, and M. H. Müser Molecular Simulation
29. Piezoelectric coefficients by molecular dynamics simulations in the constant stress ensemble: A case study of quartz 2006 D. Herzbach and M. H. Müser Molecular Simulation
30. An Accurate ab initio potential energy surface and calculated spectroscopic constants for BeH2, BeD2 and BeHD 2006 H. Li, R.J. Le Roy Molecular Simulation
31. Comparison of model potentials for molecular dynamics simulations of silica 2005 D. Herzbach, K. Binder, and M. H. Müser Molecular Simulation
32. Molecular mechanisms for the functionality of lubricant additives 2005 N. J. Mosey, M. H. Müser, and T. K. Woo Molecular Simulation Computational Chemistry
33. Energy dissipation via quantum chemical hysteresis during high-pressure compression: A first-principles molecular dynamics study of phosphates 2005 N. J. Mosey, T. K. Woo, and M. H. Müser Molecular Simulation Computational Chemistry
34. Calculations of the threshold force and threshold power to move adsorbed nanoparticles 2005 D. A. Aruliah, M. H. Müser, and U. D. Schwarz Molecular Simulation
35. Diffusion, elasticity, and shear flow in self-assembled block copolymers: A molecular dynamics study 2005 B. Fraser, C. Denniston, and M. H. Müser Molecular Simulation Condensed Matter Physics
36. Quantum dynamics in the highly discrete, commensurate Frenkel Kontorova model: A path-integral molecular dynamics study 2005 F. R. Krajewski and M. H. Müser Molecular Simulation
37. Many-body quantum dynamics by adiabatic path-integral molecular dynamics: Disordered Frenkel Kontorova models 2005 F. R. Krajewski and M. H. Müser Molecular Simulation
38. On finite-size effects in the simulation of high-pressure, quartz-like structures 2004 C. Campana and M. H. Müser Molecular Simulation Condensed Matter Physics
39. Lubricants under high local pressure: Liquids act like solids 2004 M. H. Muser Molecular Simulation
40. On the irreversibility of the pressure-induced phase transition of quartz and the relation between three hypothetical post-quartz phases 2004 C. Campana, M. H. Muser, J. S. Tse, D. Herzbach, and P. Schoffel Molecular Simulation Condensed Matter Physics
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