Publications - Affiliation: University Of Crete

2025
[39]	Computational Investigation of the Structural Properties of Poly(lactic acid) and Its Stereoisomers: Shape, Size, and Flexibility (Bačova, Petra, Harmandaris, Vagelis and Molina, Sergio I.), In Macromolecules, volume 58, 2025. [bibtex] [url] [doi]
[38]	Development of a systematic coarse-grained model for poly(caprolactone) in melt [version 1; peer review: awaiting peer review] (Ba?ov甃 P, Gonz瘡ez Huarte, G, Harmandaris, V and Molina, SI), In Open Research Europe, volume 5, 2025. [bibtex] [doi]
[37]	Response of Aerosols and Tropospheric Gases to Wildfire Emission Scenarios (Petrakis, Manolis P., Boleti, Eirini, Mourgela, Rafaila-Nikola, Seiradakis, Konstantinos, Roșu, Iulian Alin and Voulgarakis, Apostolos), In Environmental and Earth Sciences Proceedings, volume 35, 2025. [bibtex] [url] [doi]
[36]	Distillation-free, stable Training of ClariNet Vocoder with Spectral Energy Distance (E. Sisamaki, Y. Pantazis, V. Tsiaras and Y. Stylianou), In Proceedings of the 33rd European Signal Processing Conference (EUSIPCO 2025), 2025. [bibtex] [pdf]
[35]	Simulation of Air Pollution Produced by Forest Fires Using the WRF-SFIRE-CHEM Model in Greece: Study Cases (Sakellaris, Ioannis A., Bartzis, John G., Grillakis, Emmanouil, Bakouros, Ioannis L., Kyriazanos, Dimitris, Saraga, Dikaia E., Voulgarakis, Apostolos and Maggos, Thomas), In Fire Technology, 2025. [bibtex] [url] [doi]
[34]	Large-scale impacts of the 2023 Canadian wildfires on the Northern Hemisphere atmosphere (Roșu, Iulian-Alin, Mourgela, Rafaila-Nikola, Kasoar, Matthew, Boleti, Eirini, Parrington, Mark and Voulgarakis, Apostolos), In npj Clean Air, volume 1, 2025. [bibtex] [url] [doi]
2024
[33]	Physics-Informed Deep Learning Approach for Reintroducing Atomic Detail in Coarse-Grained Configurations of Multiple Poly(lactic acid) Stereoisomers (Christofi, Eleftherios, Bačová, Petra and Harmandaris, Vagelis A.), In Journal of Chemical Information and Modeling, volume 0, 2024. [bibtex] [url] [doi]
[32]	(3-CF3pyH)2(3-CF3py)Pb3I8: A Three-Dimensional Metal Halide Inorganic Framework with Distinctive Kagomé Bands (Giappa, Rafaela Maria, Selivanov, Nikita I., Samsonova, Anna Yu., Pantousas, Apostolos, Remediakis, Ioannis N., Kapitonov, Yury V., Emeline, Alexei V., Kopidakis, Georgios and Stoumpos, Constantinos C.), In Chemistry of Materials, volume 36, 2024. [bibtex] [url] [doi]
[31]	Size Dependent Photocatalytic Activity of Mesoporous ZnIn2S4 Nanocrystal Networks (Andreou, Evangelos K., Vamvasakis, Ioannis, Douloumis, Andreas, Kopidakis, Georgios and Armatas, Gerasimos S.), In ACS Catalysis, 2024. [bibtex] [url] [doi]
[30]	Studying the Pre-Industrial to Present-Day Effective Radiative Forcing from Wildfire Emissions Using EC-Earth (Mourgela, Rafaila-Nikola, Roșu, Iulian-Alin, Boleti, Eirini, Petrakis, Manolis P., Seiradakis, Konstantinos, Gkouvousis, Angelos, Le Sager, Philippe, Wyser, Klaus, Zhang, Bingqing, Liu, Pengfei and Voulgarakis, Apostolos), In Environmental and Earth Sciences Proceedings, volume 31, 2024. [bibtex] [url] [doi]
2023
[29]	Investigating the mechanical performance of graphene reinforced polymer nanocomposites via atomistic and continuum simulation approaches (Malak Barakat, Hilal Reda, Anthony Chazirakis and Vagelis Harmandaris), In Polymer, 2023. [bibtex] [url] [doi]
[28]	Machine Learning for the edge energies of high symmetry Au nanoparticles (Emmanouil Pervolarakis, Georgios A. Tritsaris, Phoebus Rosakis and Ioannis N. Remediakis), In Surface Science, volume 732, 2023. [bibtex] [url] [doi]
[27]	Revealing the Role of Chain Conformations on the Origin of the Mechanical Reinforcement in Glassy Polymer Nanocomposites (Reda, Hilal, Chazirakis, Anthony, Behbahani, Alireza Foorazani, Savva, Nikos and Harmandaris, Vagelis), In Nano Letters, volume 0, 2023. [bibtex] [url] [doi]
[26]	Structure of amino acid sequence-reversed wtRop protei: insights from atomistic molecular dynamics simulations (Maria Arnittali, Anastassia N. Rissanou, Aikaterini Kefala, Michael Kokkinidis and Vagelis Harmandaris), In Journal of Biomolecular Structure and Dynamics, volume 0, 2023. [bibtex] [url] [doi]
[25]	Morphology and Dynamics in Hydrated Graphene Oxide/Branched Poly(ethyleneimine) Nanocomposites: An In Silico Investigation (Rissanou Anastassia, Konstantinou Apostolos, Karatasos Kostas), In Nanomaterials, volume 13, 2023. [bibtex] [url] [doi]
[24]	Unfolding the band structure of van der Waals heterostructures (Vailakis, Georgios and Kopidakis, Georgios), In Phys. Rev. Mater., American Physical Society, volume 7, 2023. [bibtex] [url] [doi]
[23]	Electron density control in WSe2 monolayers via photochlorination (E Katsipoulaki, G Vailakis, I Demeridou, D Karfaridis, P Patsalas, K Watanabe, T Taniguchi, I Paradisanos, G Kopidakis, G Kioseoglou and E Stratakis), In 2D Materials, IOP Publishing, volume 10, 2023. [bibtex] [url] [doi]
2022
[22]	Adsorption on Metallic Edges of Transition Metal Dichalcogenides (Davelou, Daphne, Mathioudakis, Christos, Remediakis, Ioannis N. and Kopidakis, Georgios), In physica status solidi (RRL) – Rapid Research Letters, volume 16, 2022. [bibtex] [url] [doi]
[21]	Mechanical properties of glassy polymer nanocomposites via atomistic and continuum models: The role of interphases (Hilal Reda, Anthony Chazirakis, Alireza F. Behbahani, Nikos Savva and Vangelis Harmandaris), In Computer Methods in Applied Mechanics and Engineering, volume 395, 2022. [bibtex] [url] [doi]
[20]	Recognition motifs for Importin 4 [(L)PPRS(G/P)P] and Importin 5 [KP(K/Y)LV] binding, identified by bio-informatic simulation and experimental in vitro validation (Athanasios A. Panagiotopoulos, Konstantina Kalyvianaki, Paraskevi K. Tsodoulou, Maria N. Darivianaki, Dimitris Dellis, George Notas, Vangelis Daskalakis, Panayiotis A. Theodoropoulos, Christos Α. Panagiotidis, Elias Castanas and Marilena Kampa), In Computational and Structural Biotechnology Journal, 2022. [bibtex] [url] [doi]
[19]	A methodology for determining the local mechanical properties of model atomistic glassy polymeric nanostructured materials (Hilal Reda, Anthony Chazirakis, Alireza F. Behbahani, Nikos Savva and Vangelis Harmandaris), In MethodsX, 2022. [bibtex] [url] [doi]
[18]	Tuning the workfunction of ZnO through surface doping with Mn from first-principles simulations (Andreas Douloumis, Nikolaos R.E. Vrithias, Nikos Katsarakis, Ioannis N. Remediakis and Georgios Kopidakis), In Surface Science, volume 726, 2022. [bibtex] [url] [doi]
[17]	Lix(C5H5N)yFe2–zSe2: A Defect-Resilient Expanded-Lattice High-Temperature Superconductor (Deltsidis, Alexandros, Simonelli, Laura, Vailakis, Georgios, Berdiell, Izar Capel, Kopidakis, Georgios, Krztoń-Maziopa, Anna, Bozin, Emil S. and Lappas, Alexandros), In Inorganic Chemistry, volume 61, 2022. [bibtex] [url] [doi]
[16]	The Role of Oxidation Pattern and Water Content in the Spatial Arrangement and Dynamics of Oxidized Graphene-Based Aqueous Dispersions (Rissanou, Anastassia, Karnis, Ioannis, Krasanakis, Fanourios, Chrissopoulou, Kiriaki and Karatasos, Konstantinos), In International Journal of Molecular Sciences, volume 23, 2022. [bibtex] [url] [doi]
[15]	Transport in Mn spinel oxides alloyed with Zn–Ni: Polaron hopping in an inhomogeneous energy landscape (Katerinopoulou, Dimitra, Pervolarakis, Emmanouil, Papakonstantinopoulos, Charalampos, Malič, Barbara, Gelinck, Gerwin H., Kiriakidis, George, Łodziana, Zbigniew, Remediakis, Ioannis N. and Iliopoulos, Eleftherios), In Journal of Applied Physics, volume 132, 2022. [bibtex] [url] [doi]
2021
[14]	PARTENSOR: A toolbox for parallel canonical polyadic decomposition (Paris A. Karakasis, Christos Kolomvakis, George Lourakis, George Lykoudis, Ioannis Marios Papagiannakos, Ioanna Siaminou, Christos Tsalidis, and Athanasios P. Liavas), Chapter in (Liu, Yipeng, ed.), Elsevier, 2021. [bibtex] [url]
[13]	Ni-doped MoS2 modified graphitic carbon nitride layered hetero-nanostructures as highly efficient photocatalysts for environmental remediation (Eirini D. Koutsouroubi, Ioannis Vamvasakis, Maria G. Minotaki, Ioannis T. Papadas, Charalampos Drivas, Stelios A. Choulis, Georgios Kopidakis, Stella Kennou and Gerasimos S. Armatas), In Applied Catalysis B: Environmental, volume 297, 2021. [bibtex] [url] [doi]
[12]	The sequence [EKRKI(E/R)(K/L/R/S/T)] is a nuclear localization signal for importin 7 binding (NLS7) (Athanasios A. Panagiotopoulos, Chara Polioudaki, Sotirios G. Ntallis, Dimitris Dellis, George Notas, Christos A. Panagiotidis, Panayiotis A. Theodoropoulos, Elias Castanas, Marilena Kampa), In Biochimica et Biophysica Acta (BBA) - General Subjects, volume 1865, 2021. [bibtex] [url] [doi]
[11]	From Order to Disorder of Alkanethiol Self-Assembled Monolayers on Complex Au (211), (221), and (311) Surfaces: Impact of the Substrate (Stefanakis, Dimitrios, Harmandaris, Vangelis, Kopidakis, Georgios and Remediakis, Ioannis), In The Journal of Physical Chemistry C, volume 125, 2021. [bibtex] [url] [doi]
[10]	Dynamics and Rheology of Polymer Melts via Hierarchical Atomistic, Coarse-Grained, and Slip-Spring Simulations (Behbahani, Alireza F., Schneider, Ludwig, Rissanou, Anastassia, Chazirakis, Anthony, Bačová, Petra, Jana, Pritam Kumar, Li, Wei, Doxastakis, Manolis, Polińska, Patrycja, Burkhart, Craig, Müller, Marcus and Harmandaris, Vagelis A.), In Macromolecules, volume 54, 2021. [bibtex] [url] [doi]
[9]	Structure and Thermal Stability of wtRop and RM6 Proteins through All-Atom Molecular Dynamics Simulations and Experiments (Arnittali Maria, Rissanou Anastassia N., Amprazi Maria, Kokkinidis Michael, Harmandaris Vagelis), In International Journal of Molecular Sciences, volume 22, 2021. [bibtex] [url] [doi]
[8]	Interface and Interphase in Polymer Nanocomposites with Bare and Core-Shell Gold Nanoparticles (Power, Albert J., Remediakis, Ioannis N. and Harmandaris, Vagelis), In Polymers, volume 13, 2021. [bibtex] [url] [doi]
[7]	Accelerated Stochastic Gradient for Nonnegative Tensor Completion and Parallel Implementation (Siaminou, Ioanna, Papagiannakos, Ioannis Marios, Kolomvakis, Christos and Liavas, Athanasios P.), In 2021 29th European Signal Processing Conference (EUSIPCO), 2021. [bibtex] [url] [doi]
2020
[6]	Self-assembly of Alanine-Isoleucine and Isoleucine-Isoleucine Dipeptides through Atomistic Simulations and Experiments (Anastassia N. Rissanou, Georgios Simatos, Panagiota Siachouli, Vagelis Harmandaris, Anna Mitraki), In J. Phys. Chem. B, 2020. [bibtex] [url] [doi]
[5]	Self-assembly of diphenylalanine peptides on graphene via detailed atomistic simulations (Rissanou Anastassia N., Keliri Andriani, Arnittali Maria, Harmandaris, Vagelis), In Phys. Chem. Chem. Phys., volume 22, 2020. [bibtex] [url] [doi]
[4]	Dynamical heterogeneities in non-entangled polystyrene and poly(ethylene oxide) star melts (Bačová,Petra, Gkolfi,Eirini, Hawke,Laurence G. D. and Harmandaris,Vagelis), In Physics of Fluids, volume 32, 2020. [bibtex] [url] [doi]
2019
[3]	Structural Basis for Allosteric Regulation in the Major Antenna Trimer of Photosystem II (Vangelis Daskalakis, Sayan Maity, Cameron Lewis Hart, Taxiarchis Stergiannakos, Christopher D. P. Duffy, Ulrich Kleinekathöfer), In J. Phys. Chem. B, volume 123, 2019. [bibtex] [url] [doi]
2018
[2]	Alternating Optimization for Tensor Factorization with Orthogonality Constraints: Algorithm and Parallel Implementation (Karakasis, Paris A. and Liavas, Athanasios P.), In 2018 International Conference on High Performance Computing Simulation (HPCS), 2018. [bibtex] [url] [doi]
2017
[1]	Nesterov-based Alternating Optimization for Nonnegative Tensor Factorization: Algorithm and Parallel Implementation (A. P. Liavas, G. Kostoulas, G. Lourakis, K. Huang and N. D. Sidiropoulos), In IEEE Transactions on Signal Processing, volume PP, 2017. [bibtex] [url] [doi]