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Manolis Doxastakis

Manolis Doxastakis.

Manolis Doxastakis

Associate Professor

Contact Information

Manolis Doxastakis.

  • Office Address: 328 Dougherty Engineering Building
  • Phone: 865-974-8486
  • E-mail:
Group Website


  • PhD, University of Patras (2002): Static and Dynamic Behavior of Polymer Mixtures of Similar Chemical Constitution and Different Macromolecular Architecture


Manolis Doxastakis.

Manolis Doxastakis graduated from the National Technical University of Athens with a Diploma in Chemical Engineering in 1996. He then moved to the University of Patras, Greece, and received his MS and PhD in Materials Science and Chemical Engineering, respectively, in 2002.

During his graduate studies, Doxastakis worked at the Institute of Chemical Engineering and High Temperature Chemical Processes, Patras; the Institute of Electronic Structure and Laser, Heraklion, Greece; and the Commonwealth Scientific and Industrial Research Organisation, Melbourne, Australia. In 2003, he moved to the University of Wisconsin, Madison as a postdoctoral researcher in Chemical and Biological Engineering. In 2007, Doxastakis joined the University of Houston as an Assistant Professor of Chemical and Biomolecular Engineering studying interfacial phenomena in materials science and biophysics with custom highly efficient parallel algorithms. In 2014, he moved to Argonne National Laboratory and the Institute for Molecular Engineering working on  combining advanced X-ray scattering methods with molecular simulations. In Fall 2016, Doxastakis joined the University of Tennessee, Knoxville as an Associate Professor of Chemical and Biomolecular Engineering.

Doxastakis’ research uses computational methods as applied to a broad spectrum of soft matter that covers polymer melts, blends, copolymers as well as lipid membranes and protein assemblies. His articles are highlighted in the front cover of high impact journals and are consistently cited. He has delivered over 20 invited lectures, chaired multiple sessions on multiscale modeling in national conferences and serves as the reviewer for over 20 scientific journals.

Awards and Recognitions

  • Over 20 invited lectures in national and international conferences.
  • 2013 Front cover article in Macromolecules on polymer-particle interactions.
  • Front cover and 2012 Editor’s Choice article in Journal of Chemical Physics.
  • ICEH/T Fellowship for graduate studies, Excellence award (National Technical University of Athens), Hellenic Mathematical Society awards.

Professional Service

  • Member of: (1) American Institute of Chemical Engineering (AIChE), (2) American Physical Society, (3) Biophysical Society.
  • Chair and co-chair in sessions “Multiscale Modeling and Characterization of Polymers” and “Computational Studies Of Self-Assembly” in multiple National AIChE Meetings.
  • Chair “Lipid Bilayers and Biological Membranes,” APS Meeting.
  • Reviewer for over 20 high impact scientific journals including Journal of the American Chemical SocietyMacromoleculesJournal of Chemical Physics, and ACS Macro Letters.


Manolis Doxastakis.

  • Polymer melts, blends and nanocomposites
  • Association of biomolecules in membrane environments
  • Reaction-diffusion phenomena in patterning applications
  • Development of novel algorithms for multiscale modeling
  • Computational characterization of materials coupled to scattering experiments.
Google Scholar


  • Li, W., Burkhart, C., Polińska, P., Harmandaris, V., & Doxastakis, M. (2020). Backmapping coarse-grained macromolecules: An efficient and versatile machine learning approach. Journal of Chemical Physics, 153(4). doi:10.1063/5.0012320
  • Shahidi, N., Chazirakis, A., Harmandaris, V., & Doxastakis, M. (2020). Coarse-graining of polyisoprene melts using inverse Monte Carlo and local density potentials. Journal of Chemical Physics, 152(12). doi:10.1063/1.5143245
  • Shahidi, N., Mapesa, E., Doxastakis, E., & Sangoro, J. (2019). Segmental dynamics in thin films of polyvinyl acetate. In Southeast Polymer Forum. Oak Ridge National Lab.
  • Bottoms, C., Stein, G., & Doxastakis, E. (2019). Ion Diffusion in Chemically Amplified Photoresists. In Southeast Polymer Forum. Oak Ridge National Lab.
  • Mapesa, E., Shahidi, N., Doxastakis, E., & Sangoro, J. (2019). Thin supported polymer films: Modified mobility at the interfaces. In Bulletin of the American Physical Society. Boston, MA.
  • Khaira, G., Doxastakis, M., Bowen, A., Ren, J., Suh, H. S., Segal-Peretz, T., . . . Nealey, P. F. (2017). Derivation of Multiple Covarying Material and Process Parameters Using Physics-Based Modeling of X-ray Data. Macromolecules, 50(19), 7783-7793. doi:10.1021/acs.macromol.7b00691
  • Rissanou, A. N., Papananou, H., Petrakis, V. S., Doxastakis, M., Andrikopoulos, K. S., Voyiatzis, G. A., . . . Anastasiadis, S. H. (2017). Structural and Conformational Properties of Poly(ethylene oxide)/Silica Nanocomposites: Effect of Confinement. Macromolecules, 50(16), 6273-6284. doi:10.1021/acs.macromol.7b00811
  • Doxastakis, E. (2017). Three dimensional characterization of polymer nanostructures through an integrated scattering and modeling approach. APS March Meeting 2017, New Orleans, LA.
  • Du, D., Doxastakis, M., Hilou, E., & Biswal, S. L. (2017). Two-dimensional melting of colloids with long-range attractive interactions. Soft Matter, 13(8), 1548-1553. doi:10.1039/c6sm02131j
  • Segal-Peretz, T., Ren, J., Xiong, S., Khaira, G., Bowen, A., Ocola, L. E., . . . Nealey, P. F. (2017). Quantitative Three-Dimensional Characterization of Block Copolymer Directed Self-Assembly on Combined Chemical and Topographical Prepatterned Templates. ACS Nano, 11(2), 1307-1319. doi:10.1021/acsnano.6b05657
  • Brooks, A. J., O'Mara, M. L., Dai, W., Abankwa, D., Chhabra, Y., Tunny, K. A., . . . Waters, M. J. (2016). Mechanism of JAK2 Activation by the Archetype Class I Cytokine Receptor, the Growth Hormone Receptor. In BIOPHYSICAL JOURNAL Vol. 110 (pp. 31A). Los Angeles, CA: CELL PRESS. doi:10.1016/j.bpj.2015.11.233
  • Suh, H. S., Chen, X., Rincon-Delgadillo, P. A., Jiang, Z., Strzalka, J., Wang, J., . . . Nealey, P. F. (2016). Characterization of the shape and line-edge roughness of polymer gratings with grazing incidence small-angle X-ray scattering and atomic force microscopy. Journal of Applied Crystallography, 49, 823-834. doi:10.1107/S1600576716004453
  • Abstracts of the Endocrine Society of Australia Annual Scientific Meeting 2015, 23-26 August 2015. (2016). In Clin Endocrinol (Oxf) Vol. 84 Suppl 1 (pp. 1-49). England. doi:10.1111/cen.13010
  • Doxastakis, M., Suh, H. S., Chen, X., Rincon Delgadillo, P. A., Wan, L., Williamson, L., . . . Nealey, P. (2015). Grazing-incidence small angle x-ray scattering studies of nanoscale polymer gratings. In Proceedings of SPIE - The International Society for Optical Engineering Vol. 9424. doi:10.1117/12.2085824
  • Segal-Peretz, T., Winterstein, J., Doxastakis, M., Ramírez-Hernández, A., Biswas, M., Ren, J., . . . Nealey, P. F. (2015). Characterizing the three-dimensional structure of block copolymers via sequential infiltration synthesis and scanning transmission electron tomography. ACS Nano, 9(5), 5333-5347. doi:10.1021/acsnano.5b01013
  • Patil, A. A., Pandey, Y. N., Doxastakis, M., & Stein, G. E. (2014). Characterizing acid diffusion lengths in chemically amplified resists from measurements of deprotection kinetics. Journal of Micro/ Nanolithography, MEMS, and MOEMS, 13(4). doi:10.1117/1.JMM.13.4.043017
  • Pandey, Y. N., Brayton, A., Burkhart, C., Papakonstantopoulos, G. J., & Doxastakis, M. (2014). Multiscale modeling of polyisoprene on graphite. Journal of Chemical Physics, 140(5). doi:10.1063/1.4863918
  • Patil, A. A., Doxastakis, M., & Stein, G. E. (2014). Modeling acid transport in chemically amplified resist films. In Proceedings of SPIE - The International Society for Optical Engineering Vol. 9051. doi:10.1117/12.2046473
  • Brooks, A. J., Dai, W., O'Mara, M. L., Abankwa, D., Chhabra, Y., Pelekanos, R. A., . . . Waters, M. J. (2014). Mechanism of activation of protein kinase JAK2 by the growth hormone receptor. Science, 344(6185). doi:10.1126/science.1249783
  • Brooks, A. J., Chhabra, Y., Abankwa, D., O'Mara, M., Dai, W., Gardon, O., . . . Waters, M. J. (2014). A new cytokine receptor activation paradigm: Activation of JAK2 by the growth hormone receptor. CYTOKINE, 70(1), 22. doi:10.1016/j.cyto.2014.07.227