Vagelis A Harmandaris (Vangelis Harmandaris, Vagelis Harmandaris)

Scopus Author ID ResearcherID ResearcherID ORCID

Publication Activity (10 Years)

Years Active: 2019-2024
Publications (10 Years): 37

Top Topics

Molecular Dynamics Simulations

Density Functional Theory

Walled Carbon Nanotubes

Top Venues

Journal of chemical information and modeling

The journal of physical chemistry. B

This page only lists publications with an associated author ORCID identifier.

Publications

Eleftherios Christofi, Petra Bačová, Vagelis A Harmandaris
Physics-Informed Deep Learning Approach for Reintroducing Atomic Detail in Coarse-Grained Configurations of Multiple Poly(lactic acid) Stereoisomers. Journal of chemical information and modeling 64 (6) (2024)
Hilal Reda, Ioannis Tanis, Vagelis A Harmandaris
Distribution of Mechanical Properties in Poly(ethylene oxide)/silica Nanocomposites via Atomistic Simulations: From the Glassy to the Liquid State. Macromolecules 57 (9) (2024)
Eleftherios Christofi, Petra Bačová, Vagelis A Harmandaris
Physics-Informed Deep Learning Approach for Reintroducing Atomic Detail in Coarse-Grained Configurations of Multiple Poly(lactic acid) Stereoisomers. Journal of chemical information and modeling (2024)
Eleftherios Christofi, Petra Bačová, Vagelis A Harmandaris
Physics-Informed Deep Learning Approach for Reintroducing Atomic Detail in Coarse-Grained Configurations of Multiple Poly(lactic acid) Stereoisomers. Journal of chemical information and modeling 64 (6) (2024)
Eleftherios Christofi, Petra Bačová, Vagelis A Harmandaris
Physics-Informed Deep Learning Approach for Reintroducing Atomic Detail in Coarse-Grained Configurations of Multiple Poly(lactic acid) Stereoisomers. Journal of chemical information and modeling 64 (6) (2024)
Eleftherios Christofi, Petra Bačová, Vagelis A Harmandaris
Physics-Informed Deep Learning Approach for Reintroducing Atomic Detail in Coarse-Grained Configurations of Multiple Poly(lactic acid) Stereoisomers. Journal of chemical information and modeling 64 (6) (2024)
Hilal Reda, Ioannis Tanis, Vagelis A Harmandaris
Distribution of Mechanical Properties in Poly(ethylene oxide)/silica Nanocomposites via Atomistic Simulations: From the Glassy to the Liquid State. Macromolecules 57 (9) (2024)
Eleftherios Christofi, Petra Bačová, Vagelis A Harmandaris
Physics-Informed Deep Learning Approach for Reintroducing Atomic Detail in Coarse-Grained Configurations of Multiple Poly(lactic acid) Stereoisomers. Journal of chemical information and modeling 64 (6) (2024)
Eleftherios Christofi, Petra Bačová, Vagelis A Harmandaris
Physics-Informed Deep Learning Approach for Reintroducing Atomic Detail in Coarse-Grained Configurations of Multiple Poly(lactic acid) Stereoisomers. Journal of chemical information and modeling 64 (6) (2024)
Ali A Youssef, Hilal Reda, Vagelis A Harmandaris
Unraveling the Effect of Strain Rate and Temperature on the Heterogeneous Mechanical Behavior of Polymer Nanocomposites via Atomistic Simulations and Continuum Models. Polymers 16 (17) (2024)
Hilal Reda, Panayiota Katsamba, Anthony Chazirakis, Vagelis A Harmandaris
Probing the Linear-to-Plastic Transition in Polymer Nanocomposites via Atomistic Simulations: The Role of Interphases. Macromolecular rapid communications (2024)
Alexis Theodorou, Vasilios Raptis, Chrissie Isabella Maria Baltzaki, Thrassyvoulos Manios, Vagelis A Harmandaris, Kelly Velonia
Synthesis and Modeling of Poly(L-lactic acid) via Polycondensation of L-Lactic Acid. Polymers 15 (23) (2023)
Hilal Reda, Anthony Chazirakis, Alireza Foorazani Behbahani, Nikos Savva, Vagelis A Harmandaris
Revealing the Role of Chain Conformations on the Origin of the Mechanical Reinforcement in Glassy Polymer Nanocomposites. Nano letters (2023)
Peter Divanach, Eirini Fanouraki, Anna Mitraki, Vagelis A Harmandaris, Anastassia N Rissanou
Self-Assembly of Phenylalanine-Leucine, Leucine-Phenylalanine, and Cyclo(-leucine-phenylalanine) Dipeptides through Simulations and Experiments. The journal of physical chemistry. B 127 (19) (2023)
Maria Arnittali, Anastassia N Rissanou, Aikaterini Kefala, Michael Kokkinidis, Vagelis A Harmandaris
Structure of amino acid sequence-reversed wtRop protei: insights from atomistic molecular dynamics simulations. Journal of biomolecular structure & dynamics (2023)
Peter Divanach, Eirini Fanouraki, Anna Mitraki, Vagelis A Harmandaris, Anastassia N Rissanou
Investigating the complexation propensity of self-assembling dipeptides with the anticancer peptide-drug Bortezomib: a computational study. Soft matter (2023)
Petra Bačová, Eirini Gkolfi, Vagelis A Harmandaris
Soft Character of Star-Like Polymer Melts: From Linear-Like Chains to Impenetrable Nanoparticles. Nano letters (2023)
Alexis Theodorou, Vasilios Raptis, Chrissie Isabella Maria Baltzaki, Thrassyvoulos Manios, Vagelis A Harmandaris, Kelly Velonia
Synthesis and Modeling of Poly(L-lactic acid) via Polycondensation of L-Lactic Acid. Polymers 15 (23) (2023)
Peter Divanach, Eirini Fanouraki, Anna Mitraki, Vagelis A Harmandaris, Anastassia N Rissanou
Self-Assembly of Phenylalanine-Leucine, Leucine-Phenylalanine, and Cyclo(-leucine-phenylalanine) Dipeptides through Simulations and Experiments. The journal of physical chemistry. B 127 (19) (2023)
Petra Bačová, Eirini Gkolfi, Vagelis A Harmandaris
Soft Character of Star-Like Polymer Melts: From Linear-Like Chains to Impenetrable Nanoparticles. Nano letters (2023)
Peter Divanach, Eirini Fanouraki, Anna Mitraki, Vagelis A Harmandaris, Anastassia N Rissanou
Self-Assembly of Phenylalanine-Leucine, Leucine-Phenylalanine, and Cyclo(-leucine-phenylalanine) Dipeptides through Simulations and Experiments. The journal of physical chemistry. B (2023)
Petra Bačová, Eirini Gkolfi, Vagelis A Harmandaris
Soft Character of Star-Like Polymer Melts: From Linear-Like Chains to Impenetrable Nanoparticles. Nano letters (2023)
Petra Bačová, Eirini Gkolfi, Vagelis A Harmandaris
Soft Character of Star-Like Polymer Melts: From Linear-Like Chains to Impenetrable Nanoparticles. Nano letters (2023)
Hilal Reda, Anthony Chazirakis, Albert J Power, Vagelis A Harmandaris
Mechanical Behavior of Polymer Nanocomposites via Atomistic Simulations: Conformational Heterogeneity and the Role of Strain Rate. The journal of physical chemistry. B 126 (38) (2022)
Albert J Power, Hellen Papananou, Anastassia N Rissanou, Massimiliano Labardi, Kiriaki Chrissopoulou, Vagelis A Harmandaris, Spiros H Anastasiadis
Dynamics of Polymer Chains in Poly(ethylene oxide)/Silica Nanocomposites via a Combined Computational and Experimental Approach. The journal of physical chemistry. B 126 (39) (2022)
Eleftherios Christofi, Antonis Chazirakis, Charalambos Chrysostomou, Mihalis A Nicolaou, Wei Li, Manolis Doxastakis, Vagelis A Harmandaris
Deep convolutional neural networks for generating atomistic configurations of multi-component macromolecules from coarse-grained models. The Journal of chemical physics 157 (18) (2022)
Petra Bačová, Dimitris G Mintis, Eirini Gkolfi, Vagelis A Harmandaris
Mikto-Arm Stars as Soft-Patchy Particles: From Building Blocks to Mesoscopic Structures. Polymers 13 (7) (2021)
Albert J Power, Ioannis N Remediakis, Vagelis A Harmandaris
Interface and Interphase in Polymer Nanocomposites with Bare and Core-Shell Gold Nanoparticles. Polymers 13 (4) (2021)
Alireza F Behbahani, Vagelis A Harmandaris
Correction: Foroozani Behbahani, A.; Harmandaris, V. Gradient of Segmental Dynamics in Stereoregular Poly(methyl methacrylate) Melts Confined between Pristine or Oxidized Graphene Sheets. Polymers  2021, 13 , 830. Polymers 14 (1) (2021)
Maria Arnittali, Anastassia N Rissanou, Maria Amprazi, Michael Kokkinidis, Vagelis A Harmandaris
Structure and Thermal Stability of wtRop and RM6 Proteins through All-Atom Molecular Dynamics Simulations and Experiments. International journal of molecular sciences 22 (11) (2021)
Petra Bačová, Wei Li, Alireza F Behbahani, Craig Burkhart, Patrycja Polińska, Manolis Doxastakis, Vagelis A Harmandaris
Coupling between Polymer Conformations and Dynamics Near Amorphous Silica Surfaces: A Direct Insight from Atomistic Simulations. Nanomaterials (Basel, Switzerland) 11 (8) (2021)
Alireza F Behbahani, Vagelis A Harmandaris
Gradient of Segmental Dynamics in Stereoregular Poly(Methyl Methacrylate) Melts Confined between Pristine or Oxidized Graphene Sheets. Polymers 13 (5) (2021)
Constantia Alexandrou, Vagelis A Harmandaris, Anastasios Irakleous, Giannis Koutsou, Nikos Savva
Modeling the evolution of COVID-19 via compartmental and particle-based approaches: Application to the Cyprus case. PloS one 16 (5) (2021)
Petra Bačová, Emmanouil Glynos, Spiros H Anastasiadis, Vagelis A Harmandaris
Spatio-temporal heterogeneities in nanosegregated single-molecule polymeric nanoparticles. Soft matter 16 (19) (2020)
Anastassia N Rissanou, Georgios Simatos, Panagiota Siachouli, Vagelis A Harmandaris, Anna Mitraki
Self-assembly of Alanine-Isoleucine and Isoleucine-Isoleucine Dipeptides through Atomistic Simulations and Experiments. The journal of physical chemistry. B 124 (33) (2020)
Anastassia N Rissanou, Petra Bačová, Vagelis A Harmandaris
Investigation of the properties of nanographene in polymer nanocomposites through molecular simulations: dynamics and anisotropic Brownian motion. Physical chemistry chemical physics : PCCP 21 (43) (2019)
Petra Bačová, Emmanouil Glynos, Spiros H Anastasiadis, Vagelis A Harmandaris
Nanostructuring Single-Molecule Polymeric Nanoparticles via Macromolecular Architecture. ACS nano 13 (2) (2019)