Molecular Simulations Group - publications

  1. Monte Carlo structure factors and selected physical properties of symmetric copolymer melts at low temperatures
    Chintapalli M., Timachova K., Olson K. R., Banaszak M., Thelen J. L., Mecham S. J., DeSimone J. M., Balsara N. P.
    Soft Matter, 13, pp.4047-4056, 2017
  2. Monte Carlo structure factors and selected physical properties of symmetric copolymer melts at low temperatures
    Wołoszczuk S., Banaszak M.
    Nuclear Instruments and Methods in Physics Research B, Available online 19 April 2017, 2017
  3. Phase Behavior of Polymer Solutions and Blends
    Knychała P., Timachova K., Banaszak M., Balsara N. P.
    Macromolecules, 50 (8), 3051–3065, 2017
  4. Simulation of Ionic Copolymers by Molecular Dynamics
    Dzięcielski M., Knychała P., Banaszak M.
    Computational Methods in Science and Technology, 22 (4), 187-196, 2016
  5. Towards entropy-driven interstitial micelles at elevated temperatures from selective A1BA2 triblock solutions
    Wołoszczuk S., Jurga S., Banaszak M.
    Physical Review E, ,94 022502, 2016
  6. Self-Organisation in Spatial Systems − From Fractal Chaos to Regular Patterns and Vice Versa
    Banaszak M., Dzięcielski M., Nijkamp P., Ratajczak W.
    PLOS ONE, 10(9): e0136248, 2015
  7. Dual modes of self-assembly in superstrongly segregated bicomponent triblock copolymer melts
    Wołoszczuk S., Mineart K., Spontak R., Banaszak M.
    Physical Review E, 91, 010601(R) , 2015
  8. Heuristic Monte Carlo Method Applied to Cooperative Motion Algorithm for Binary Lattice Fluid
    Knychała P., Banaszak M.
    Journal of Computational Methods in Sciences and Engineering, 14, 395–404, 2014
  9. Molecular-Level Insights into Asymmetric Triblock Copolymers: Network and Phase Development
    Tallury S., Mineart K., Wołoszczuk S., Williams D., Thompson R., Pasquinelli M., Banaszak M., Spontak R.
    The Journal of Chemical Physics, 141, 121103, 2014
  10. Simulations on a swollen gyroid nanostructure in thin films relevant to systems of ionic block copolymers
    Knychała P., Banaszak M.
    European Physical Journal E, 37: 67, 2014
  11. Monte Carlo Simulations and Self-Consistent Field Theory Applied to Calculations of Density Profiles in A1BA2 Triblock Copolymer Melts
    Dzięcielski M., Wołoszczuk S., Banaszak M.
    Polimery, 59 (7-8), 850-854, 2014
  12. Effects of Composition on the Phase Behavior of Ion-Containing Block Copolymers Studied by a Minimal Lattice Model
    Knychała P., Banaszak M., Balsara N. P.
    Macromolecules, 47 (7), pp 2529–2535, 2014
  13. Monte Carlo binodals for the order-disorder transition in A-B-A copolymer melts
    Wołoszczuk S., Banaszak M.
    Fluid Phase Equilibria, 358, 156–160, 2013
  14. Phase Behavior of Ionic Block Copolymers Studied by a Minimal Lattice Model with Short-Range Interactions
    Knychała P., Dzięcielski M., Banaszak M., Balsara N. P.
    Macromolecules, 46 (14), pp 5724–5730, 2013
  15. Monte Carlo Study of Patchy Nanostructures Self-Assembled from a Single Multiblock Chain
    Krajniak J., Banaszak M.
    Computational Methods in Science and Technology, 19(3) 137-143, 2013
  16. Why Cells are Microscopic: A Transport-time Perspective
    Soh S., Banaszak M., Kandere-Grzybowska K., Grzybowski B.A.
    The Journal of Physical Chemistry Letters, 4, 861–865, 2013
  17. Monte-Carlo Simulations of the Order-Disorder Transition Depression in ABA Triblock Copolymers with a Short Terminal Block
    Wołoszczuk S., Banaszak M., Spontak R.J.
    Journal of Polymer Science B: Polymer Physics, 51, 343-348, 2013
  18. Phase behavior of block copolymer solutions in thin films studied by Monte Carlo simulations
    Knychała P., Banaszak M., Polanowski P.
    Soft Matter, 8, 6638-6645, 2012
  19. Diblock copolymer melt in spherical unit cells of higher dimensionalities
    Banaszak M., Koper A., Knychała P., Lewandowski K.
    Acta Physica Polonica A, 121(3), 2012
  20. Great expectations: can artificial molecular machines deliver on their promise?
    Coskun A., Banaszak M., Astumian R. D., Stoddart J. F., Grzybowski B. A.
    Chem. Soc. Rev., 41, 19-30, 2012
  21. Phase diagram of diblock copolymer melt in dimension d=5
    Dzięcielski M., Lewandowski K., Banaszak M.
    Computational Methods in Science and Technology, 17(1), 17-23, 2011
  22. Intraglobular structures in multiblock copolymer chains from a Monte Carlo simulation
    Lewandowski K., Banaszak M.
    Physical Review E, 84, 011806, 2011
  23. Effects of Compositional Asymmetry in Phase Behavior of ABA Triblock Copolymer Melts from Monte Carlo Simulation
    Wołoszczuk S., Banaszak M.
    The European Physical Journal E, 33 (04), 343-350, 2010
  24. Crystallization of hard disks induced by a temperature gradient
    Wołoszczuk S., Lipowski A.
    Physical Review E, 81, 061132, 2010
  25. Parallel-Tempering Monte-Carlo Simulation with Feedback-Optimized Algorithm Applied to a Coil-to-Globule Transition of a Lattice Homopolymer
    Lewandowski K., Knychała P., Banaszak M.
    Computational Methods in Science and Technology, 16(1), 29-35, 2010
  26. Microphase Separation in Sulfonated Block Copolymers Studied by Monte Carlo Simulations
    Knychała P., Banaszak M., Park M. J., Balsara N. P.
    Macromolecules, 42 (22), pp 8925-8932, 2009
  27. Collapse-driven self-assembly of multiblock chains: a Monte Carlo off-lattice study
    Lewandowski K., Banaszak M.
    Journal of Non-Crystalline Solids, 355 (2009) pp. 1289-1294, 2009
  28. Protein-like behavior of multiblock copolymer chains in a selective solvent by a variety of lattice and off-lattice Monte Carlo simulations
    Lewandowski K., Knychała P., Banaszak M.
    Physica Status Solidi B, 245, No. 11, 2524-2532, 2008
  29. Alternating Multiblock Copolymers Exhibiting Protein-Like Transitions in Selective Solvents: A Monte Carlo Study
    Wołoszczuk S., Banaszak M., Knychała P., Lewandowski K., Radosz M.
    Journal of Non-Crystalline Solids, 354 (2008) 4138–4142, 2008
  30. Monte Carlo Phase Diagram of Symmetric Diblock Copolymer in Selective Solvent
    Wołoszczuk S., Banaszak M., Knychała P., Radosz M.
    Macromolecules, 41 (15), 5945-5951, 2008
  31. An apparent critical point in binary mixtures: Experimental and simulation study
    Sliwińska-Bartkowiak M., Ratajczak B., Golibrocki L., Banaszak M.
    The Journal of Chemical Physics, 124, 144516, 2006
  32. Radial Distribution Functions and Compressibility Factors for Binary Mixture of Hard Spheres from Molecular Dynamics Simulation
    Kuroczycki B., Banaszak M., Jurga S.
    Computational Methods in Science and Technology, 10 161, 2004
  33. Low-Temperature Ordering Effects in Diblock Copolymer Melts from Lattice Simulation
    Wołoszczuk S., Banaszak M., Jurga S., Pakuła T., Radosz M.
    The Journal of Chemical Physics, 121(23), 12044-12049, 2004
  34. Low-Temperature Extra Ordering Effects in Symmetric Block Copolymers from Lattice Monte Carlo Simulation
    Wołoszczuk S., Banaszak M., Jurga S., Radosz M.
    Computational Methods in Science and Technology, 10 219-228, 2004
  35. Lamellar ordering in computer-simulated block copolymer melts by a variety of thermal treatments
    Banaszak M., Wołoszczuk S., Jurga S., Pakuła T.
    The Journal of Chemical Physics, 119(21), 11451-11457, 2003
  36. Computer simulation of structure and microphase separation in model A-B-A triblock copolymers
    Banaszak M., Wołoszczuk S., Pakuła T., Jurga S.
    Physical Review E, 66, 031804, 2002
  37. Molecular Dynamics Study on Homonuclear and Heteronuclear Chains of Lennard-Jones Segments
    Banaszak M., Radosz M.
    Fluid Phase Equilibria, 193, 179-189, 2002
  38. Molecular dynamics simulation of copolymers
    Banaszak M.
    TASK Quaterly, 5, 17-27, 2001
  39. Molecular dynamics simulations of ionic copolymers
    Banaszak M.
    Computational Methods in Science and Technology, 6, 15-24, 2000
  40. Computer Simulation of Microphase Separation in Ionic Copolymers
    Banaszak M., Clarke J.H.R.
    Physical Review E, 60, 5753-5757, 1999
  41. Statistical associating fluid theory equation of state with Lennard-Jones reference applied to pure and binary n-alkane systems
    Chen C.K., Banaszak M., Radosz M.
    J. Phys. Chem. B, 102, 2427-2431, 1998
  42. Copolymer SAFT equation of state: Thermodynamic perturbation theory extended to heterobonded chains
    Banaszak M., Chen C.K., Radosz M.
    Macromolecules, 29, 6481-6486, 1996
  43. Mixing Rules for Binary Lennard-Jones Fluid Structures
    Banaszak M., Chen C.K., Radosz M.
    Fluid Phase Equilibria, 111, 161-174, 1995
  44. Phase Behavior of Branchy Polyolefms. 1. Poly(ethylene-l-butene) in Subcritical and Supercritical Propane: Ethyl Branches Reduce Segment Energy, Enhance Miscibility
    Chen S., Banaszak M., Radosz M.
    Macromolecules, 28,1812-1817, 1995
  45. Thermodynamic Perturbation Theory: Lennard-Jones Chains
    Banaszak M., Chiew Y.C., O'Lenick , Radosz M.
    The Journal of Chemical Physics, 100, 3803-3807, 1994
  46. Thermodynamic Perturbation Theory: Sticky Chains and Square-Well Chains
    Banaszak M., Chiew Y.C., Radosz M.
    Physical Review E, 48, 3760-3765, 1993
  47. Repeat-Unit Interaction Energies for Lattice Cluster Theory Derived from SANS Data for Blends of Random Poly(ethylene-butene-l)
    Banaszak M., Petsche I.B., Radosz M.
    Macromolecules, 26, 391-395, 1993
  48. Self-Consistent Theory of Block Copolymer Blends:Selective Solvent
    Banaszak M., Whitmore M.D.
    Macromolecules, 25, 3406-3412, 1992
  49. Mean Field Theory of the Lamellar Structure of Block Copolymer/Homopolymer Blends
    Banaszak M., Whitmore M.D.
    Macromolecules, 25, 2757-2770, 1992
  50. Mean Field Theory of Phase Behavior of Ternary Block Copolymer-Homopolymer Blends
    Banaszak M., Whitmore M.D.
    Macromolecules, 25, 249-260, 1992
  51. Magnetic Phase Transitions in Gamet Structure in Terms of Symmetry Breakdown
    Banaszak M., Lulek T.
    Acta Magnetica, 5, 127-144, 1988