In Pipeline
Structure and rheology of multi-block amphiphilic copolymers under shear in dilute solutions, E. Kamal Ahangar, D. Robe, and E. Hajizadeh (Under Review, 2026)
https://doi.org/10.48550/arXiv.2604.09684
Ding P, Weeratunge H, Hajizadeh E*. Interpretable ML-Accelerated Coupled Optimization of Fractional Zener Constitutive Formulation and Geometry of Acoustic Metamaterial Coatings for Broadband Underwater Absorption, (Under review, 2026)
Concentration-dependent shear response of multi-block amphiphilic copolymer self-assemblies ,E. Kamal Ahangar, D. Robe, and E. Hajizadeh (2026)
https://doi.org/10.48550/arXiv.2604.16497
Graham R, Hajizadeh E, Abduo J, Ackland D. Modelling Practice in Finite Element Analysis. Of resin-based Composite Restorations: A Scoping Review (in preparation, 2026).
An Autonomous Synthesis Platform for On-Demand Precision UHMW Polymers, K. Jelodare, J. Scofield, P. Gurr 1, B. Widdicombe, D. Robe, K. Smith-Miles, E. Hajizadeh, G. Qiao (2026)
Intelligent Design of Enzymatic Hydrogels through Machine Learning and Biocatalysis, E. G. Carcamo Rodriguez, E. Hajizadeh, C. J. Jacksone, P. S. Staytonh, D. R. Nisbet, L. M. Caballero Aguilar (2026)
Book Chapter
Hajizadeh E. Handbook of Coarse-Grained and Multiscale Modeling of Soft Matter Simulations, Chapter Title: Structure and Rheology of Waterborne Coating Fluids through Machine Learning-driven Multiscale Simulations. Elsevier (2026). In Press
https://doi.org/10.48550/arXiv.2604.09684
Ding P, Weeratunge H, Hajizadeh E*. Interpretable ML-Accelerated Coupled Optimization of Fractional Zener Constitutive Formulation and Geometry of Acoustic Metamaterial Coatings for Broadband Underwater Absorption, (Under review, 2026)
Concentration-dependent shear response of multi-block amphiphilic copolymer self-assemblies ,E. Kamal Ahangar, D. Robe, and E. Hajizadeh (2026)
https://doi.org/10.48550/arXiv.2604.16497
Graham R, Hajizadeh E, Abduo J, Ackland D. Modelling Practice in Finite Element Analysis. Of resin-based Composite Restorations: A Scoping Review (in preparation, 2026).
An Autonomous Synthesis Platform for On-Demand Precision UHMW Polymers, K. Jelodare, J. Scofield, P. Gurr 1, B. Widdicombe, D. Robe, K. Smith-Miles, E. Hajizadeh, G. Qiao (2026)
Intelligent Design of Enzymatic Hydrogels through Machine Learning and Biocatalysis, E. G. Carcamo Rodriguez, E. Hajizadeh, C. J. Jacksone, P. S. Staytonh, D. R. Nisbet, L. M. Caballero Aguilar (2026)
Book Chapter
Hajizadeh E. Handbook of Coarse-Grained and Multiscale Modeling of Soft Matter Simulations, Chapter Title: Structure and Rheology of Waterborne Coating Fluids through Machine Learning-driven Multiscale Simulations. Elsevier (2026). In Press
Published
32. G. Santanatoglia, R. Sandberg, E. Hajizadeh. Effects of airfoil trailing edge thickness on the generation of secondary tones. Materials Research Proceedings, 69, 112-118 (2026).
31.From Molecular descriptors to data-driven design: Multiscale modelling and machine learning for shape memory polymers,P. Prathumrat, M. Okhawilai, M. Nikzad, E. Hajizadeh, Next Materials, 103111, 2026.
https://doi.org/10.1016/j.nxmate.2026.103111
30. Active Learning-enabled Multiscale Simulation Framework: Bridging Association Dynamics to Rheology in Polymer-Colloid Suspensions, J. Abdolahi, D. Robe, R. G. Larson, and E. Hajizadeh, Macromolecules, 59 (13),7466–7482 (2026)
https://doi.org/10.1021/acs.macromol.6c00335
29. StrAPS: Structural Angular Power Spectrum for Unsupervised Morphology Identification in Block Copolymers, D. Robe and E. Hajizadeh, Computational Materials Science, 272, 114855 (2026)
10.1016/j.commatsci.2026.114855
28. Advances in Computational and Data-driven Methodologies for Accelerating Antimicrobial Peptide Design and Discovery, A. Jayawardena, A. Hung, G. Qiao, and E. Hajizadeh, Progress in Polymer Science (IF = 26), 177, 102119 (2026)
https://doi.org/10.1016/j.progpolymsci.2026.102119
27.Membrane Selectivity of Star-shaped Peptides: A Comparative Molecular Dynamics Study Across Different Bacterial and Mammalian Bilayers
A. Jayawardena, A. Huang, G. Qiao, E. Hajizadeh, Journal of Physical Chemistry, Part B (2025)
https://doi.org/10.1021/acs.jpcb.5c06308
26.Tailoring shape memory liquid crystalline elastomer/polyethylene oxide/fumed silica composites for highly durable and stable operation in Zn-based batteries
P.Prathumrat, T. Wongsalam, C. Likitaporn, N. Tanalue, E. Hajizadeh, S.Kheawhom, H. Uyama, J. Qin, M.a Okhawilai. Journal of Alloys and Compounds, 1041,183845 (2025).
https://doi.org/10.1016/j.jallcom.2025.183845
25. Molecular Dynamics Simulation of the interaction of lipidated structurally nano engineered antimicrobial peptide polymers with bacterial cell membrane
A.Jayawardena, A. Huang, G. Qiao, E. Hajizadeh, Journal of Physical Chemistry, Part B (2025)
https://doi.org/10.1021/acs.jpcb.5c02067
24. Interpretable SHAP-bounded Bayesian Optimization for Underwater Acoustic Metamaterial Coating Designs, H. Weeratunge, N. Robe, E. Hajizadeh, accepted in Structural and Multidisciplinary Optimization, 68, 175 (2025)
https://doi.org/10.1007/s00158-025-04104-w
23. Constrained Bayesian Accelerated Design of Acoustic Polyurethane Coatings with Metamaterial Features Under Hydrostatic Pressure, P. Ding,N. Robe, M. Kirley, and E. Hajizadeh, Structural and Multidisciplinary Optimization, 68(8), 1-15 (2025)
https://doi.org/10.1007/s00158-025-04107-7
22. From SMILES to Scattering: Automated High-Throughput Atomistic Polyurethane Simulations Compared with WAXS Data, N. Robe, A. Menzel, A.W. Phillips, and E. Hajizadeh, Computational Materials Science,256, 113931 (2025)
https://doi.org/10.1016/j.commatsci.2025.113931
21. Interpretable Active Learning Meta-modelling for the Association Dynamics of Telechelic Polymers on Colloidal Particles, J. Abdolahi, N. M. Robe, M. Kirley, R. G. Larson, and E. Hajizadeh, Journal of Rheology (2025), https://doi.org/10.1122/8.0000930
Featured as Editor's Choice.
20. Molecular Dynamics Simulations of Structurally Nano-Engineered Antimicrobial Peptide Polymers Interacting with Bacterial Cell Membranes, A.Jayawardena, A. Huang, G. Qiao, E. Hajizadeh, Accepted in Journal of Physical Chemistry B, 129, 250-259 (2024) -
Featured as the Journal Cover.
https://pubs.acs.org/doi/10.1021/acs.jpcb.4c06691
19. Asymmetric CycleGANs for Inverse Design of Photonic Metastructures, J. Panisilvam, E. Hajizadeh, H. Weeratunge, J. Bailey,S. Kim, APL Machine Learning,1, 046105 (2023)
https://doi.org/10.1063/5.0159264.
18. 3D printing of shape memory liquid crystalline thermoplastic elastomeric composites using fused filament fabrication, P. Prathumrat, M. Nikzad, F. T. Jahromi, E. Hajizadeh, and I. Sbarski, Polymers, 15(19), 3961 (2023) IF = 5 (Q1)
https://www.mdpi.com/2073-4360/15/19/3961
17. Bayesian coarsening: rapid tuning of polymer model parameters, H. Weeratunge, D. Robe, A. Menzel, A.W. Phillips, M. Kirley, K. Smith-Miles, E. Hajizadeh, Rheologica Acta (2023), IF = 2.824 (Q1).
https://link.springer.com/article/10.1007/s00397-023-01397-w
16. A combined experimental and molecular dynamics studies of curing of shape memory liqnin-liquid crystalline elastomeric composites, P. Prathumrat, M. Nikzad, Z. Shireen, E. Hajizadeh, I. Sbarski, Composites Science and Technology, 240, 110099, (2023), IF = 9.879 (Q1).
https://doi.org/10.1016/j.compscitech.2023.110099
15. A Bio-inspired 3D-printable Flexture Joint with Cellular Mechanical Metamaterials Architecture for Soft Robotic Hands, A. Mohammadi, E. Hajizadeh, Y. Tan, P. Choong, D. Oetemo, International Journal of Bioprinting, 9 (3) (2023), IF = 7.4 (Q1)
14. Linear viscoelastic shear and bulk relaxation moduli in poly (tetramethylene oxide) (PTMO) using united-atom molecular dynamics,
Z. Shireen, E. Hajizadeh, PJ Daivis, C. Brandl, Computational Materials Science, 216,111824 (2023), IF = 3.572 (Q1)
13. Lignin-liquid crystalline elastomeric composites for shape memory applications, P. Prathumrata, M. Nikzad, E. Hajizadeh. I. Sabrski, Express Polymer Letters, 17 (1), 104-117 (2023), IF = 3.95 (Q1)
12. A novel machine learning enabled hybrid optimization framework for efficient and transferable coarse-graining of a model polymer, Z. Shireen, H. Weeratunge, A. Menzel, Andrew W. Phillips, Ronald G. Larson, Kate Smith-Miles, Elnaz Hajizadeh, Nature npj Computational Materials, 8, 1-11 (2022), IF = 13.2 (Q1)
11. A machine learning accelerated inverse design of underwater acoustic polyurethane coatings, H.Weeratunge, Z. Shireen, S. Iyer, A. Menzel, A.W. Phillips, S. Halgamuge, R. Sandberg, E. Hajizadeh, Structural and Multidisciplinary Optimization, 65, 213 (2022), IF = 4.54 (Q1)
https://link.springer.com/content/pdf/10.1007/s00158-022-03322-w.pdf.
10. Shape Memory Elastomers: A Review of Synthesis, Design, Advanced Manufacturing, and Emerging Applications, P. Prathumrata, M. Nikzad, E. Hajizadeh, R. Arablouei, and I. Sabrski, Polymers for Advanced Technologies, 33, 1782-1808 (2022); IF = 3.67 (Q1)
https://onlinelibrary.wiley.com/doi/epdf/10.1002/pat.5652
9. Predictions of polymer migration in a dilute solution between rotating eccentric cylinders, J. Xiang, E. Hajizadeh, R.G. Larson, D. Nelson, Journal of Rheology, 65, 1311 (2021); IF = 4.41 (Q1)
https://doi.org/10.1122/8.0000330
8. A comparative study of force fields for predicting shape memory properties of liquid crystalline elastomers using molecular dynamic simulations, P. Prathumart, I. Sbarski, E. Hajizadeh, and M. Nikzad, Journal of Applied Physics, 129, 155101 (2021); IF = 2.88 (Q1)
https://doi.org/10.1063/5.0044197
7. A novel hybrid population balance—Brownian dynamics method for simulating the dynamics of polymer-bridged colloidal latex particle suspensions, E. Hajizadeh, S. Yu, S. Wang, and R.G. Larson
Journal of Rheology, 62, 235 (2018); IF = 4.41 (Q1)
https://doi.org/10.1122/1.4996064
6. Stress-gradient-induced polymer migration in Taylor–Couette flow, E. Hajizade and R. G. Larson
Soft Matter, 13, 5942-5949 (2017); IF = 4.05 (Q1)
https://doi.org/10.1039/C7SM00821J
5. Stress-gradient-induced polymer migration: Perturbation theory and comparisons to stochastic simulations, G. Zhu, H. Rezvantalab, E. Hajizadeh, X. Wang. R. G. Larson
Journal of Rheology, 60, 327 (2016); IF = 4.41 (Q1)
https://doi.org/10.1122/1.4942252
4. A molecular dynamics investigation of the planar elongational rheology of chemically identical dendrimer-linear polymer blends, E. Hajizadeh, B. D. Todd, and P. J. Daivis
J. Chem. Phys. 142, 174911 (2015); IF = 3.49 (Q1)
https://doi.org/10.1063/1.4919654
3. Shear rheology and structural properties of chemically identical dendrimer-linear polymer blends through molecular dynamics simulations, E. Hajizadeh, B. D. Todd, and P. J. Daivis
J. Chem. Phys. 141, 194905 (2014); IF = 3.49 (Q1)
https://doi.org/10.1063/1.4901721
2. Nonequilibrium molecular dynamics simulation of dendrimers and hyperbranched polymer melts undergoing planar elongational flow, E. Hajizadeh, B. D. Todd, and P. J. Daivis
Journal of Rheology, 58, 281 (2014); IF = 4.41 (Q1)
https://doi.org/10.1122/1.4860355
1. Response Surface Based Optimization of Toughness of Hybrid Polyamide 6 Nanocomposites, E. Hajizadeh and H. Garmabi, International Journal of Chemical and Biomolecular Engineering, 1, 40-44 (2008).
31.From Molecular descriptors to data-driven design: Multiscale modelling and machine learning for shape memory polymers,P. Prathumrat, M. Okhawilai, M. Nikzad, E. Hajizadeh, Next Materials, 103111, 2026.
https://doi.org/10.1016/j.nxmate.2026.103111
30. Active Learning-enabled Multiscale Simulation Framework: Bridging Association Dynamics to Rheology in Polymer-Colloid Suspensions, J. Abdolahi, D. Robe, R. G. Larson, and E. Hajizadeh, Macromolecules, 59 (13),7466–7482 (2026)
https://doi.org/10.1021/acs.macromol.6c00335
29. StrAPS: Structural Angular Power Spectrum for Unsupervised Morphology Identification in Block Copolymers, D. Robe and E. Hajizadeh, Computational Materials Science, 272, 114855 (2026)
10.1016/j.commatsci.2026.114855
28. Advances in Computational and Data-driven Methodologies for Accelerating Antimicrobial Peptide Design and Discovery, A. Jayawardena, A. Hung, G. Qiao, and E. Hajizadeh, Progress in Polymer Science (IF = 26), 177, 102119 (2026)
https://doi.org/10.1016/j.progpolymsci.2026.102119
27.Membrane Selectivity of Star-shaped Peptides: A Comparative Molecular Dynamics Study Across Different Bacterial and Mammalian Bilayers
A. Jayawardena, A. Huang, G. Qiao, E. Hajizadeh, Journal of Physical Chemistry, Part B (2025)
https://doi.org/10.1021/acs.jpcb.5c06308
26.Tailoring shape memory liquid crystalline elastomer/polyethylene oxide/fumed silica composites for highly durable and stable operation in Zn-based batteries
P.Prathumrat, T. Wongsalam, C. Likitaporn, N. Tanalue, E. Hajizadeh, S.Kheawhom, H. Uyama, J. Qin, M.a Okhawilai. Journal of Alloys and Compounds, 1041,183845 (2025).
https://doi.org/10.1016/j.jallcom.2025.183845
25. Molecular Dynamics Simulation of the interaction of lipidated structurally nano engineered antimicrobial peptide polymers with bacterial cell membrane
A.Jayawardena, A. Huang, G. Qiao, E. Hajizadeh, Journal of Physical Chemistry, Part B (2025)
https://doi.org/10.1021/acs.jpcb.5c02067
24. Interpretable SHAP-bounded Bayesian Optimization for Underwater Acoustic Metamaterial Coating Designs, H. Weeratunge, N. Robe, E. Hajizadeh, accepted in Structural and Multidisciplinary Optimization, 68, 175 (2025)
https://doi.org/10.1007/s00158-025-04104-w
23. Constrained Bayesian Accelerated Design of Acoustic Polyurethane Coatings with Metamaterial Features Under Hydrostatic Pressure, P. Ding,N. Robe, M. Kirley, and E. Hajizadeh, Structural and Multidisciplinary Optimization, 68(8), 1-15 (2025)
https://doi.org/10.1007/s00158-025-04107-7
22. From SMILES to Scattering: Automated High-Throughput Atomistic Polyurethane Simulations Compared with WAXS Data, N. Robe, A. Menzel, A.W. Phillips, and E. Hajizadeh, Computational Materials Science,256, 113931 (2025)
https://doi.org/10.1016/j.commatsci.2025.113931
21. Interpretable Active Learning Meta-modelling for the Association Dynamics of Telechelic Polymers on Colloidal Particles, J. Abdolahi, N. M. Robe, M. Kirley, R. G. Larson, and E. Hajizadeh, Journal of Rheology (2025), https://doi.org/10.1122/8.0000930
Featured as Editor's Choice.
20. Molecular Dynamics Simulations of Structurally Nano-Engineered Antimicrobial Peptide Polymers Interacting with Bacterial Cell Membranes, A.Jayawardena, A. Huang, G. Qiao, E. Hajizadeh, Accepted in Journal of Physical Chemistry B, 129, 250-259 (2024) -
Featured as the Journal Cover.
https://pubs.acs.org/doi/10.1021/acs.jpcb.4c06691
19. Asymmetric CycleGANs for Inverse Design of Photonic Metastructures, J. Panisilvam, E. Hajizadeh, H. Weeratunge, J. Bailey,S. Kim, APL Machine Learning,1, 046105 (2023)
https://doi.org/10.1063/5.0159264.
18. 3D printing of shape memory liquid crystalline thermoplastic elastomeric composites using fused filament fabrication, P. Prathumrat, M. Nikzad, F. T. Jahromi, E. Hajizadeh, and I. Sbarski, Polymers, 15(19), 3961 (2023) IF = 5 (Q1)
https://www.mdpi.com/2073-4360/15/19/3961
17. Bayesian coarsening: rapid tuning of polymer model parameters, H. Weeratunge, D. Robe, A. Menzel, A.W. Phillips, M. Kirley, K. Smith-Miles, E. Hajizadeh, Rheologica Acta (2023), IF = 2.824 (Q1).
https://link.springer.com/article/10.1007/s00397-023-01397-w
16. A combined experimental and molecular dynamics studies of curing of shape memory liqnin-liquid crystalline elastomeric composites, P. Prathumrat, M. Nikzad, Z. Shireen, E. Hajizadeh, I. Sbarski, Composites Science and Technology, 240, 110099, (2023), IF = 9.879 (Q1).
https://doi.org/10.1016/j.compscitech.2023.110099
15. A Bio-inspired 3D-printable Flexture Joint with Cellular Mechanical Metamaterials Architecture for Soft Robotic Hands, A. Mohammadi, E. Hajizadeh, Y. Tan, P. Choong, D. Oetemo, International Journal of Bioprinting, 9 (3) (2023), IF = 7.4 (Q1)
14. Linear viscoelastic shear and bulk relaxation moduli in poly (tetramethylene oxide) (PTMO) using united-atom molecular dynamics,
Z. Shireen, E. Hajizadeh, PJ Daivis, C. Brandl, Computational Materials Science, 216,111824 (2023), IF = 3.572 (Q1)
13. Lignin-liquid crystalline elastomeric composites for shape memory applications, P. Prathumrata, M. Nikzad, E. Hajizadeh. I. Sabrski, Express Polymer Letters, 17 (1), 104-117 (2023), IF = 3.95 (Q1)
12. A novel machine learning enabled hybrid optimization framework for efficient and transferable coarse-graining of a model polymer, Z. Shireen, H. Weeratunge, A. Menzel, Andrew W. Phillips, Ronald G. Larson, Kate Smith-Miles, Elnaz Hajizadeh, Nature npj Computational Materials, 8, 1-11 (2022), IF = 13.2 (Q1)
11. A machine learning accelerated inverse design of underwater acoustic polyurethane coatings, H.Weeratunge, Z. Shireen, S. Iyer, A. Menzel, A.W. Phillips, S. Halgamuge, R. Sandberg, E. Hajizadeh, Structural and Multidisciplinary Optimization, 65, 213 (2022), IF = 4.54 (Q1)
https://link.springer.com/content/pdf/10.1007/s00158-022-03322-w.pdf.
10. Shape Memory Elastomers: A Review of Synthesis, Design, Advanced Manufacturing, and Emerging Applications, P. Prathumrata, M. Nikzad, E. Hajizadeh, R. Arablouei, and I. Sabrski, Polymers for Advanced Technologies, 33, 1782-1808 (2022); IF = 3.67 (Q1)
https://onlinelibrary.wiley.com/doi/epdf/10.1002/pat.5652
9. Predictions of polymer migration in a dilute solution between rotating eccentric cylinders, J. Xiang, E. Hajizadeh, R.G. Larson, D. Nelson, Journal of Rheology, 65, 1311 (2021); IF = 4.41 (Q1)
https://doi.org/10.1122/8.0000330
8. A comparative study of force fields for predicting shape memory properties of liquid crystalline elastomers using molecular dynamic simulations, P. Prathumart, I. Sbarski, E. Hajizadeh, and M. Nikzad, Journal of Applied Physics, 129, 155101 (2021); IF = 2.88 (Q1)
https://doi.org/10.1063/5.0044197
7. A novel hybrid population balance—Brownian dynamics method for simulating the dynamics of polymer-bridged colloidal latex particle suspensions, E. Hajizadeh, S. Yu, S. Wang, and R.G. Larson
Journal of Rheology, 62, 235 (2018); IF = 4.41 (Q1)
https://doi.org/10.1122/1.4996064
6. Stress-gradient-induced polymer migration in Taylor–Couette flow, E. Hajizade and R. G. Larson
Soft Matter, 13, 5942-5949 (2017); IF = 4.05 (Q1)
https://doi.org/10.1039/C7SM00821J
5. Stress-gradient-induced polymer migration: Perturbation theory and comparisons to stochastic simulations, G. Zhu, H. Rezvantalab, E. Hajizadeh, X. Wang. R. G. Larson
Journal of Rheology, 60, 327 (2016); IF = 4.41 (Q1)
https://doi.org/10.1122/1.4942252
4. A molecular dynamics investigation of the planar elongational rheology of chemically identical dendrimer-linear polymer blends, E. Hajizadeh, B. D. Todd, and P. J. Daivis
J. Chem. Phys. 142, 174911 (2015); IF = 3.49 (Q1)
https://doi.org/10.1063/1.4919654
3. Shear rheology and structural properties of chemically identical dendrimer-linear polymer blends through molecular dynamics simulations, E. Hajizadeh, B. D. Todd, and P. J. Daivis
J. Chem. Phys. 141, 194905 (2014); IF = 3.49 (Q1)
https://doi.org/10.1063/1.4901721
2. Nonequilibrium molecular dynamics simulation of dendrimers and hyperbranched polymer melts undergoing planar elongational flow, E. Hajizadeh, B. D. Todd, and P. J. Daivis
Journal of Rheology, 58, 281 (2014); IF = 4.41 (Q1)
https://doi.org/10.1122/1.4860355
1. Response Surface Based Optimization of Toughness of Hybrid Polyamide 6 Nanocomposites, E. Hajizadeh and H. Garmabi, International Journal of Chemical and Biomolecular Engineering, 1, 40-44 (2008).