Articles avec mandats d'accès public - Vagelis HarmandarisEn savoir plus
Non disponibles : 6
Parametrizing coarse grained models for molecular systems at equilibrium
E Kalligiannaki, A Chazirakis, A Tsourtis, MA Katsoulakis, P Plecháč, ...
The European Physical Journal Special Topics 225, 1347-1372, 2016
Exigences : US National Science Foundation, US Department of Energy
Investigating the mechanical performance of graphene reinforced polymer nanocomposites via atomistic and continuum simulation approaches
M Barakat, H Reda, A Chazirakis, V Harmandaris
Polymer 286, 126379, 2023
Exigences : European Commission
Self-assembly of diphenylalanine peptides on graphene via detailed atomistic simulations
AN Rissanou, A Keliri, M Arnittali, V Harmandaris
Physical Chemistry Chemical Physics 22 (47), 27645-27657, 2020
Exigences : European Commission
Wall-Spring Thermostat: A Novel Approach for Controlling the Dynamics of Soft Coarse-Grained Polymer Fluids at Surfaces
PK Jana, P Bacova, L Schneider, H Kobayashi, KU Hollborn, P Polinska, ...
Macromolecules 55 (13), 5550-5566, 2022
Exigences : Federal Ministry of Education and Research, Germany
Structure of amino acid sequence-reversed wtRop protein: insights from atomistic molecular dynamics simulations
M Arnittali, AN Rissanou, A Kefala, M Kokkinidis, V Harmandaris
Journal of Biomolecular Structure and Dynamics, 1-15, 2023
Exigences : European Commission
Predicting mechanical heterogeneity in glassy polymer nanocomposites via an inverse computational approach based on atomistic molecular simulations and homogenization methods
M Barakat, H Reda, P Katsamba, H Shraim, V Harmandaris
Mechanics of Materials 197, 105082, 2024
Exigences : European Commission
Disponibles quelque part : 54
Aggregation and vesiculation of membrane proteins by curvature-mediated interactions
BJ Reynwar, G Illya, VA Harmandaris, MM Müller, K Kremer, M Deserno
Nature 447 (7143), 461-464, 2007
Exigences : German Research Foundation
Dynamics of polystyrene melts through hierarchical multiscale simulations
VA Harmandaris, K Kremer
Macromolecules 42 (3), 791-802, 2009
Exigences : German Research Foundation
A novel method for measuring the bending rigidity of model lipid membranes by simulating tethers
VA Harmandaris, M Deserno
The Journal of chemical physics 125 (20), 2006
Exigences : German Research Foundation
Structure of biomolecules through molecular dynamics simulations
M Arnittali, AN Rissanou, V Harmandaris
Procedia Computer Science 156, 69-78, 2019
Exigences : European Commission
Hierarchical simulations of hybrid polymer–solid materials
K Johnston, V Harmandaris
Soft Matter 9 (29), 6696-6710, 2013
Exigences : German Research Foundation
Hierarchical multiscale modeling of polymer–solid interfaces: Atomistic to coarse-grained description and structural and conformational properties of polystyrene–gold systems
K Johnston, V Harmandaris
Macromolecules 46 (14), 5741-5750, 2013
Exigences : German Research Foundation
Dynamics and Rheology of Polymer Melts via Hierarchical Atomistic, Coarse-Grained, and Slip-Spring Simulations
AF Behbahani, L Schneider, A Rissanou, A Chazirakis, P Bacova, ...
Macromolecules 54 (6), 2740-2762, 2021
Exigences : European Commission
Properties of short polystyrene chains confined between two gold surfaces through a combined density functional theory and classical molecular dynamics approach
K Johnston, V Harmandaris
Soft Matter 8 (23), 6320-6332, 2012
Exigences : German Research Foundation
Hierarchical modelling of polystyrene melts: from soft blobs to atomistic resolution
G Zhang, A Chazirakis, VA Harmandaris, T Stuehn, KC Daoulas, ...
Soft Matter 15 (2), 289-302, 2019
Exigences : National Natural Science Foundation of China, European Commission
The geometry of generalized force matching and related information metrics in coarse-graining of molecular systems
E Kalligiannaki, V Harmandaris, MA Katsoulakis, P Plecháč
The Journal of chemical physics 143 (8), 2015
Exigences : US Department of Energy
Path-space variational inference for non-equilibrium coarse-grained systems
V Harmandaris, E Kalligiannaki, M Katsoulakis, P Plecháč
Journal of Computational Physics 314, 355-383, 2016
Exigences : US National Science Foundation, US Department of Energy
Properties of benzene confined between two Au (111) surfaces using a combined density functional theory and classical molecular dynamics approach
K Johnston, V Harmandaris
The Journal of Physical Chemistry C 115 (30), 14707-14717, 2011
Exigences : German Research Foundation
Conformations and dynamics of polymer chains in cis and trans polybutadiene/silica nanocomposites through atomistic simulations: From the unentangled to the entangled regime
AF Behbahani, A Rissanou, G Kritikos, M Doxastakis, C Burkhart, ...
Macromolecules 53 (15), 6173-6189, 2020
Exigences : European Commission
Dynamics and structure of monolayer polymer crystallites on graphene
M Gulde, AN Rissanou, V Harmandaris, M Müller, S Schäfer, C Ropers
Nano Letters 16 (11), 6994-7000, 2016
Exigences : German Research Foundation, European Commission
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