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Zhan, P., Zhang, W., Jacobs, I.E., Nisson, D.M., Xie, R., Weissen, A.R., Colby, R.H., Moulé, A.J., Milner, S.T., Maranas, J.K. and Gomez, E.D.( 2018). Side chain length affects backbone dynamics in poly (3‐alkylthiophene) s. Journal of Polymer Science Part B: Polymer Physics56(17), 1193-1202.

  1. Maranas, J., Pengfei, Z. H. A. N., & Ganapatibhotla, L. V. (2017). U.S. Patent Application No. 15/441,980.
  2. Schantz, A. B., Saboe, P. O., Sines, I. T., Lee, H. Y., Bishop, K. J., Maranas, J. K., … & Kumar, M. (2017). PEE–PEO Block Copolymer Exchange Rate between Mixed Micelles Is Detergent and Temperature Activated. Macromolecules50(6), 2484-2494.
  3. Rudzinski, J. F., Lu, K., Milner, S. T., Maranas, J. K., & Noid, W. G. (2017). Extended ensemble approach to transferable potentials for low-resolution coarse-grained models of ionomers. Journal of chemical theory and computation13(5), 2185-2201.
  4. Lu, K., Maranas, J. K., & Milner, S. T. (2017). Depletion attraction of sheet-like ion aggregates in low-dielectric ionomer melts. The Journal of Chemical Physics146(6), 064901.
  5. Kowalik, M., Schantz, A. B., Naqi, A., Shen, Y., Sines, I., Maranas, J. K., & Kumar, M. (2017). Chemically specific coarse-grained models to investigate the structure of biomimetic membranes. RSC Advances7(86), 54756-54771.


  1. Lu, Keran, Janna K. Maranas, and Scott T. Milner. “Ion-mediated charge transport in ionomeric electrolytes.Soft matter 12, no. 17 (2016): 3943-3954.keran paper
  2. Shekhani, Husain N., Erkan A. Gurdal, Lalitha Ganapatibhotla, Janna K. Maranas, Ron Staut, and Kenji Uchino. “The Effect of Electrical Boundary Conditions on the Thermal Properties of Ferroelectric Piezoelectric Ceramics.arXiv preprint arXiv:1605.04836 (2016).


  1. Antony, Andrew Charles, Sneha A. Akhade, Tao Liang, Michael J. Janik, Janna K. Maranas, and Susan B. Sinnott. “Simulating an Applied Voltage in Molecular Dynamics Using Charge Optimized Many Body (COMB3) Potentials.” ECS Transactions 69, no. 1 (2015): 103-105.
  2. Fan, Bingxin, and Janna K. Maranas. “Coarse-grained simulation of cellulose Iβ with application to long fibrils.”
    Cellulose 22.1 (2015): 31-44.2015bingxin cellulose


  1. Petridis, Loukas, Hugh M. O’Neill, Mariah Johnsen, Bingxin Fan, Roland Schulz, Eugene Mamontov, Janna Maranas, Paul Langan, and Jeremy C. Smith. “Hydration control of the mechanical and dynamical properties of cellulose.”
    Biomacromolecules 15.11 (2014): 4152-4159.
  2. Ganapatibhotla, Lalitha V. N. R.; Maranas, Janna K.
    Interplay of Surface Chemistry and Ion Content in Nanoparticle-Filled Solid Polymer Electrolytes.
    MACROMOLECULES (2014) Volume: 47, Issue: 11, Pages: 3625-3634; doi: 10.1021/ma500072jma-2014-00072j_0009
  3. Sinha, Kokonad; Maranas, Janna
    Does Ion Aggregation Impact Polymer Dynamics and Conductivity in PEO-Based Single Ion Conductors?
    MACROMOLECULES Volume: 47, Issue: 8, Pages: 2718-2726, doi: 10.1021/ma401856z
  4. Lu, Keran, Rudzinski, Joseph F., Noid, W. G., Milner, Scott T., Maranas, Janna K.
    Scaling behavior and local structure of ion aggregates in single-ion conductors
    SOFT MATTER (2014) Volume: 10, Issue: 7, Pages: 978-989, DOI: 10.1039/c3sm52671bc3sm52671b-f8_hi-res


  1. Lin, Kan-Ju; Maranas, Janna K.
    Superionic behavior in polyethylene-oxide-based single-ion conductors
    PHYSICAL REVIEW E (2013) Volume: 88, Issue: 5, Article Number: 052602, DOI: 10.1103/PhysRevE.88.052602
  2. Yeh, Kuan-Yu; Janik, Michael J.; Maranas, Janna K.
    Molecular dynamics simulations of an electrified water/Pt(111) interface using point charge dissociative water
    ELECTROCHIMICA ACTA (2013) Volume: 101, Special Issue: SI, Pages: 308-325, DOI: 10.1016/j.electacta.2013.03.107
  3. Yeh, Kuan-Yu, Restaino, Nicholas A.,Esopi, Monica R., Maranas, Janna K., Janik, Michael J.
    The adsorption of bisulfate and sulfate anions over a Pt(111) electrode: A first principle study of adsorption configurations, vibrational frequencies and linear sweep voltammogram simulations
    ELECTROCHIMICA ACTA (2013) Volume: 101, Special Issue: SI, Pages: 308-325, DOI: 10.1016/j.electacta.2013.03.107
  4. Moustafa, Ibrahim M., Korneeva, Victoria S., Arnold, Jamie J., Smidansky, Eric D., Marcotte, Laura L., Yang, Xiaorong, Farran, Maria A. Sanchez, Maranas, Janna K. et al.
    Nanosecond-Timescale Dynamics of the Viral RNA-Dependent RNA Polymerase as a Determinant of Incorporation Fidelity
    BIOPHYSICAL JOURNAL (2013) Volume: 104, Issue: 2, Supplement: 1, Pages: 213A-213A,
  5. K.-J. Lin, K. Li, and J.K. Maranas
    Does decreasing ion-ion association improve cation mobility in single ion conductors?
    PHYSICAL CHEMISTRY CHEMICAL PHYSICS Volume: 15, Issue: 38, Pages: 16143-16151, DOI: 10.1039/c3cp51661j
    [Access via RSC Articles on Request]
  6. K.-J. Lin, K. Li, and J.K. Maranas
    Differences between polymer/salt and single ion conductor solid polymer electrolytes.
    RSC Advances RSC Advances (2013); doi:10.1039/C2RA21644B
    [Access via RSC Articles on Request]


  1. K.-J. Lin and J.K. Maranas
    Cation Coordination and Motion in a Poly(ethylene oxide)-Based Single Ion Conductor.
    Macromolecules Articles ASAP (2012); doi:10.1021/ma300716h
    [Access via ACS Articles on Request]
  2. K. Sinha, W. Wang, K.I. Winey, and J.K. Maranas
    Dynamic Patterning in PEO-Based Single Ion Conductors for Li Ion Batteries.
    Macromolecules Articles ASAP (2012); doi:10.1021/ma300051y
    [Access via ACS Articles on Request]


  1. S.K. Fullerton-Shirey, L.V.N.R. Ganapatibhotla, W. Shi, J.K. Maranas
    Influence of thermal history and humidity on the ionic conductivity of nanoparticle-filled solid polymer electrolytes
    Journal of Polymer Science Part B: Polymer PhysicsVolume 49, Issue 21, pages 1496–1505, 1 November 2011, DOI: 10.1002/polb.22330 (Featured in cover)

2011 polymer cover

  1. K. Sinha and J.K. Maranas
    Segmental Dynamics and Ion Association in PEO-Based Single Ion Conductors
    Macromolecules Articles ASAP (2011); doi:10.1021/ma2005074
    [Access via ACS Articles on Request]
  2. A.V. Verde, P.J. Beltramo, and J.K. Maranas
    Adsorption of Homopolypeptides on Gold Investigated Using Atomistic Molecular Dynamics
    Langmuir Articles ASAP (2011); doi:10.1021/la104814z
    [Access via ACS Articles on Request]
  3. P. Depa, C.X. Chen, and J.K. Maranas
    Why are coarse-grained force fields too fast? A look at dynamics of four coarse-grained polymers
    J. Chem. Phys. 134, 014903 (2011); doi:10.1063/1.3513365
    [Top 20 downloads of January 2011]


  1. S.K. Fullerton-Shirey, J.K. Maranas
    Structure and Mobility of PEO/LiClO4 Solid Polymer Electrolytes Filled with Al2O3 Nanoparticles,
    Journal of Physical Chemistry C 2010, 114 (20), pp 9196–9206
    [Access via ACS Articles on Request]
  2. E.K. Boland, J. Liu, and J.K. Maranas
    A molecular picture of motion in polyolefins
    The Journal of Chemical Physics 132, 144901 doi:10.1063/1.3366660 Publication Date (Web): April 13, 2010
    Download article [Copyright (2010) American Institute of Physics. This article may be downloaded for personal use only. Any other use requires prior permission of the author and the American Institute of Physics. The following article appeared in The Journal of Chemical Physics and may be found at this link.]


  1. A.V. Verde, J.M. Acres, J.K. Maranas
    Investigating the Specificity of Peptide Adsorption on Gold Using Molecular Dynamics Simulations
    Biomacromolecules DOI: 10.1021/bm9002464 Publication Date (Web): July 21, 2009
    [Access via ACS Articles on Request]
  2. C.X. Chen, J.K. Maranas
    A Molecular View of Dynamic Responses When Mixing Poly(ethylene oxide) and Poly(methyl methacrylate)
    Macromolecules 42(7), 2795-2805 (2009)
    [Access via ACS Articles on Request]
  3. S.K. Fullerton-Shirey, J.K. Maranas
    Effect of LiClO4 on the Structure and Mobility of PEO-Based Solid Polymer Electrolytes
    Macromolecules 42, 2142 (2009)
    [Access via ACS Articles on Request]


  1. J. Sacristan, C.X. Chen, J.K. Maranas
    Role of effective composition on dynamics of PEO-PMMA blends
    Macromolecules 41 (14), 5466-5476 (2008).
  2. V.G Sakai, J.K. Maranas, I. Peral, J.R.D Copley
    Dynamics of PEO in blends with PMMA: Study of the effects of blend composition via quasi-elastic neutron scattering
    Macromolecules 41 (10), 3701-3710 (2008).
  3. C.X. Chen, P.K. Depa, J.K. Maranas, V.G. Sakai
    Comparison of explicit atom, united atom, and coarse-grained simulations of poly (methyl methacrylate)
    J. Chem. Phys. 128 (12), 124906 (2008).


  1. M. Doxastakis, V.G. Sakai, S.Ohtake, J.K. Maranas, J.J. de Pablo
    A molecular view of melting in anhydrous phospholipidic membranes
    Biophys. J. 92 (1), 147-161 (2007).
  2. P.K. Depa and J.K. Maranas
    Dynamic evolution in coarse-grained molecular dynamics simulations of polyethylene melts
    J. Chem. Phys. 126 (5), 054903 (2007).
  3. J.K. Maranas
    The effect of environment on local dynamics of macromolecules
    Current Opinion in Colloid & Interface Science 12 (1), 29-42 (2007).
  4. Doxastakis M, Sakai VG, Ohtake S, Maranas JK, de Pablo JJ.
    A molecular view of melting in anhydrous phospholipidic membranes
    BIOPHYSICAL JOURNAL Volume: 92, Issue: 1, Pages: 147-161, DOI: 10.1529/biophysj.106.089631.


  1. C.X. Chen, J.K. Maranas, and V. Garcia-Sakai
    Local dynamics of syndiotactic poly(methyl methacrylate) using molecular dynamics simulation
    Macromolecules 39 (26), 9630-9640 (2006)
  2. A.F. May AF, J.K. Maranas
    The single chain limit of structural relaxation in a polyolefin blend
    J. Chem. Phys. 125(2), 024906 (2006)
  3. C.X. Chen, P. Depa, V.G. Sakai, J.K. Maranas, J.W. Lynn, I. Peral, J.R.D. Copley
    A comparison of united atom, explicit atom, and coarse-grained simulation models for poly(ethylene oxide)
    J. Chem. Phys. 124(23), 234901 (2006)
  4. J.H. Liu, V.G. Sakai, J.K. Maranas
    Composition dependence of segmental dynamics of poly(methyl methacrylate) in miscible blends with poly(ethylene oxide)
    Macromolecules 39 (8), 2866 (2006)


  1. V.G. Sakai, J.K. Maranas, Z. Chowdhuri, I. Peral, J.R.D. Copley
    Miscible blend dynamics and the length scale of local compositions
    J. Poly. Sci. B 43(20), 2914 (2005)
  2. P. Depa and J. K. Maranas
    Speed up of dynamic observables in coarse-grained molecular-dynamics simulations of unentangled polymers
    J. Chem. Phys. 123, 094901 (2005).
  3. B. Farago, C. X. Chen, J. K. Maranas, S. Kamath, R. H. Colby, A. J. Pasquale, T. E. Long
    Collective Motion in Poly (ehtylene oxide)/poly(methlmethacrylate) blends
    Phys. Rev. E. 72, 031809 (2005)
  4. A. Neelankantan, A. May and J. K. Maranas
    The Role of Environment in Structural Relaxation of Miscible Polymer Blends
    Macromolecules 38, 6598 (2005).
  5. S. K. Fullerton and J. K, Maranas
    A Molecular Dynamics Study of the Structural Dependence of Boron Oxide Nanoparticles on Shape
    Nano Letters 5, 363 (2005).
  6. V. Garcia-Sakai, J. K. Maranas, Z. Chowdhuri, I. Peral, and J. R. D. Copley
    Miscible Blend Dynamics and the Length Scale of Local Compositions
    J. Polym. Sci. Polym. Phys. 43, 2914 (2005).


  1. V. Garcia-Sakai, C. Chen, J.K. Maranas, Z. Chowdhuri
    Effect of Blending with Poly(ethylene oxide) on the Dynamics of Poly(methyl methacrylate): A Quasi-Elastic Neutron Scattering Approach
    Macromolecules 37, 9975 (2004)
  2. A. Neelakantan, and J. K.Maranas
    Intra- and intermolecular packing in polyolefin blends
    Macromolecules 37, 8473 (2004).
  3. S.K. Fullerton and J. K. Maranas
    A Molecular Interpretation of Vitreous Boron Oxide Dynamics
    J. Chem. Phys. 121, 8562 (2004).
  4. A. Neelakantan and J.K. Maranas
    Spatial Regimes in the Dynamics of Polyolefins: Collective Motion
    J. Chem. Phys. 120, 1617 (2004)
  5. A. Neelakantan and J.K. Maranas
    Spatial Regimes in the Dynamics of Polyolefins: Self Motion
    J. Chem. Phys. 120, 465 (2004).


  1. J. Clark and J.K. Maranas
    Densification Effects in the Dynamics of Polyolefins
    J. Chem Phys., 119, 8695 (2003)
  2. A. Neelakantan, R. Stine and J.K. Maranas
    Chain Packing in Ethylene-Butene Copolymers
    Macromolecules, 36, 3721 (2003)
  3. S. Natarajan and J.K. Maranas
    Discretization Parameters in Fine-Grained Lattice Simulations of Linear and Branched Polymers
    J. Chem. Phys. 118, 9053 (2003).


  1. A.I. Indrakanti, J.K. Maranas, S.K. Kumar, A.Z. Panagiotopoulos
    Quantitative Lattice Simulations of the Structure and Thermodynamics of Macromolecules
    Macromolecules 34, 8596. (2001).
  2. J.K. Maranas, Y. Chen, D.K. Stillinger, and F.H. Stillinger
    Polarization Interactions and Boroxol Ring Formation in Boron Oxide: A Molecular Dynamics Study
    J. Chem. Phys. 115, 6578 (2001).


  1. A.I. Indrakanti, J.K. Maranas, and S.K. Kumar
    Intramolecular Effects on the Thermodynamics of Polymers
    Macromolecules 33, 8865. (2000).


  1. J.K. Maranas, M. Mondello and G.S. Grest, W.W. Graessley and P.G. Debenedetti, S.K. Kumar
    Liquid Structure, Thermodynamics and Mixing Behavior of Saturated Hydrocarbon Polymers 1. Cohesive Energy Density and Internal Pressure
    Macromolecules, 31, 6991 (1998)
  2. J.K. Maranas, M. Mondello and G.S. Grest, W.W. Graessley and P.G. Debenedetti, S.K. Kumar
    Liquid Structure, Thermodynamics and Mixing Behavior of Saturated Hydrocarbon Polymers. 2. Pair Distribution Functions and the Regularity of Mixing
    Macromolecules, 31, 6998 (1998)
  3. J.K. Maranas, M. Mondello and G.S. Grest, W.W. Graessley and P.G. Debenedetti, SK. Kumar
    A Molecular Dynamics Study of Intermolecular Structure, Thermodynamics and Miscibility in Hydrocarbon Polymers
    Computers and Chemical Engineering, 22, S19 (1998).
  4. J.D. Londono, J.K. Maranas, M. Mondello, A. Habenschuss, G.S. Grest, W.W. Graessley, S.K. Kumar
    Chain Packing Effects in the Thermodynamics of Polymers
    J. Polym. Sci. Pol. Phys., 33, 3001 (1998).


  1. S.K. Kumar, B. Crist, J.K. Maranas
    Is Compressibility Important in the Thermodynamics of Polymer Mixtures?
    Phys. Rev. Lett. 79, 2265 (1997).
  2. J.K. Taylor-Maranas, P.G. Debenedetti, W.W. Graessley and S.K. Kumar
    Compressibility Effects in Neutron Scattering by Polymer Blends
    Macromolecules, 30, 6943 (1997).


  1. J.K. Taylor,* P.G. Debenedetti, W.W. Graessley and S.K. Kumar
    Compressibility Effects in the Analysis and Interpretation of Neutron Scattering Data from Polymer Blends
    Macromolecules, 29, 764 (1996).

*The author’s previous name was Janna K. Taylor

Penn State Chemical Engineering

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