Aggregation and vesiculation of membrane proteins by curvature-mediated interactions von Kremer, Kurt, Deserno, Markus, Reynwar, Benedict J, Illya, Gregoria, Harmandaris, Vagelis A, Müller, Martin M

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Structure, Dynamics, and Apparent Glass Transition of Stereoregular Poly(methyl methacrylate)/Graphene Interfaces through Atomistic Simulations von Behbahani, Alireza F, Vaez Allaei, S. Mehdi, Motlagh, Ghodratollah H, Eslami, Hossein, Harmandaris, Vagelis A

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A novel method for measuring the bending rigidity of model lipid membranes by simulating tethers von Harmandaris, Vagelis A., Deserno, Markus

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Coarse-Grained Polymer Melts Based on Isolated Atomistic Chains: Simulation of Polystyrene of Different Tacticities von Fritz, Dominik, Harmandaris, Vagelis A, Kremer, Kurt, van der Vegt, Nico F. A

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Multiscale modeling of soft matter: scaling of dynamics von Fritz, Dominik, Koschke, Konstantin, Harmandaris, Vagelis A, van der Vegt, Nico F A, Kremer, Kurt

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Molecular Dynamics Simulation of a Polymer Melt/Solid Interface:  Local Dynamics and Chain Mobility in a Thin Film of Polyethylene Melt Adsorbed on Graphite von Harmandaris, Vagelis A, Daoulas, Kostas Ch, Mavrantzas, Vlasis G

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Detailed Atomistic Simulation of a Polymer Melt/Solid Interface:  Structure, Density, and Conformation of a Thin Film of Polyethylene Melt Adsorbed on Graphite von Daoulas, Kostas Ch, Harmandaris, Vagelis A, Mavrantzas, Vlasis G

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Dynamics of Polystyrene Melts through Hierarchical Multiscale Simulations von Harmandaris, Vagelis A, Kremer, Kurt

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Correction to “Physics-Informed Deep Learning Approach for Reintroducing Atomic Detail in Coarse-Grained Configurations of Multiple Poly(lactic acid) Stereoisomers” von Christofi, Eleftherios, Bačová, Petra, Harmandaris, Vagelis A.

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Physics-Informed Deep Learning Approach for Reintroducing Atomic Detail in Coarse-Grained Configurations of Multiple Poly(lactic acid) Stereoisomers von Christofi, Eleftherios, Bačová, Petra, Harmandaris, Vagelis A.

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Hierarchical modelling of polystyrene melts: from soft blobs to atomistic resolution von Zhang, Guojie, Chazirakis, Anthony, Harmandaris, Vagelis A, Stuehn, Torsten, Daoulas, Kostas Ch, Kremer, Kurt

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Conformations and Dynamics of Polymer Chains in Cis and Trans Polybutadiene/Silica Nanocomposites through Atomistic Simulations: From the Unentangled to the Entangled Regime von Behbahani, Alireza F, Rissanou, Anastassia, Kritikos, Giorgos, Doxastakis, Manolis, Burkhart, Craig, Polińska, Patrycja, Harmandaris, Vagelis A

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Adsorption of air pollutants onto silver and gold atomic clusters: DFT and PNO-LCCSD-F12 calculations von Mohammadi, Mohsen Doust, Patsalidis, Nikolaos, Bhowmick, Somnath, Harmandaris, Vagelis A, Biskos, George

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Dynamics and Rheology of Polymer Melts via Hierarchical Atomistic, Coarse-Grained, and Slip-Spring Simulations von Behbahani, Alireza F, Schneider, Ludwig, Rissanou, Anastassia, Chazirakis, Anthony, Bačová, Petra, Jana, Pritam Kumar, Li, Wei, Doxastakis, Manolis, Polińska, Patrycja, Burkhart, Craig, Müller, Marcus, Harmandaris, Vagelis A

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Temperature and Pressure Dependence of Polystyrene Dynamics through Molecular Dynamics Simulations and Experiments von Harmandaris, Vagelis A, Floudas, George, Kremer, Kurt

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Deep convolutional neural networks for generating atomistic configurations of multi-component macromolecules from coarse-grained models von Christofi, Eleftherios, Chazirakis, Antonis, Chrysostomou, Charalambos, Nicolaou, Mihalis A., Li, Wei, Doxastakis, Manolis, Harmandaris, Vagelis A.

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Dynamic heterogeneity in fully miscible blends of polystyrene with oligostyrene von Harmandaris, Vagelis A, Kremer, Kurt, Floudas, George

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Structure and Conformation of Stereoregular Poly(methyl methacrylate) Chains Adsorbed on Graphene Oxide and Reduced Graphene Oxide via Atomistic Simulations von Behbahani, Alireza F, Motlagh, G. Hashemi, Vaez Allaei, S. Mehdi, Harmandaris, Vagelis A

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Dynamics of Long Entangled Polyisoprene Melts via Multiscale Modeling von Li, Wei, Jana, Pritam K, Behbahani, Alireza F, Kritikos, Georgios, Schneider, Ludwig, Polińska, Patrycja, Burkhart, Craig, Harmandaris, Vagelis A, Müller, Marcus, Doxastakis, Manolis

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Predicting polymer dynamics at multiple length and time scales von Harmandaris, Vagelis A., Kremer, Kurt

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