Publications - Affiliation: University Of Crete

2024
[24]	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]
[23]	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]
2023
[22]	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]
[21]	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]
[20]	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]
[19]	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]
2022
[18]	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]
[17]	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]
[16]	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]
[15]	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]
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]