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. MÃ¼ser	Molecular Simulation
22. Computer simulations of undercooled fluids and glasses	2007	K. Binder, D. Herzbach, J. Horbach, and M. H. MÃ¼ser	Molecular Simulation
23. Contact mechanics of real vs. randomly rough surfaces: A Green's function molecular dynamics study	2007	C. Campana and M. H. MÃ¼ser	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. MÃ¼ser	Molecular Simulation
25. A generalization of the charge equilibration method for non-metallic materials	2006	R. A. Nistor, J. G. Polihronov, M. H. MÃ¼ser, 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. MÃ¼ser	Molecular Simulation
27. Possible explanation of the lambda-shape anomaly in polymer surface diffusion	2006	D. Mukherji and M. H. MÃ¼ser	Molecular Simulation
28. On the orientation of lamellar block copolymer phases under shear	2006	B. Fraser, C. Denniston, and M. H. MÃ¼ser	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. MÃ¼ser	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. MÃ¼ser	Molecular Simulation
32. Molecular mechanisms for the functionality of lubricant additives	2005	N. J. Mosey, M. H. MÃ¼ser, 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. MÃ¼ser	Molecular Simulation Computational Chemistry
34. Calculations of the threshold force and threshold power to move adsorbed nanoparticles	2005	D. A. Aruliah, M. H. MÃ¼ser, 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. MÃ¼ser	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. MÃ¼ser	Molecular Simulation
37. Many-body quantum dynamics by adiabatic path-integral molecular dynamics: Disordered Frenkel Kontorova models	2005	F. R. Krajewski and M. H. MÃ¼ser	Molecular Simulation
38. On finite-size effects in the simulation of high-pressure, quartz-like structures	2004	C. Campana and M. H. MÃ¼ser	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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