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Journal Article
Adsorption of air pollutants onto silver and gold atomic clusters: DFT and PNO-LCCSD-F12 calculations
Bhowmick, SomnathHarmandaris, VangelisBiskos, George
Royal Society of Chemistry (RSC)
1
180
0
0
WL-CB-PP-VH-MD__BackmappingCGmacromol_20_J.Chem.Phys..pdf.jpg
Journal Article
Backmapping coarse-grained macromolecules: An efficient and versatile machine learning approach
AIP Publishing
1
659
0
1
Baxevani.pdf.jpg
Journal Article
BOTTOM-UP TRANSIENT TIME MODELS IN COARSE-GRAINING MOLECULAR SYSTEMS
1
189
0
0
Bottom -up transient time models in coarse-graining molecular systems.pdf.jpg
Journal Article
Bottom-up transient time models in coarse-graining molecular systems
1
227
0
0
GK-ANR-VH-KK_GrapheneNanosheets_20_macromol.pdf.jpg
Journal Article
Bound Layer Polymer Behavior on Graphene and Graphene Oxide Nanosheets
American Chemical Society (ACS)
1
449
0
0
AFB-AR-GK-MD-CB-PP-VAH_Polubutadiene-silica_20_ACSmacromol.pdf.jpg
Journal Article
Conformations and Dynamics of Polymer Chains in Cis and Trans Polybutadiene/Silica Nanocomposites through Atomistic Simulations...
American Chemical Society (ACS)
1
425
0
0
PB-WL-AFB-CB-PP-MD-VH_PolConformations-SilicaSurface_Nanomaterials (1).pdf.jpg
Journal Article
Coupling between Polymer Conformations and Dynamics Near Amorphous Silica Surfaces: A Direct Insight from Atomistic Simulations
MDPI AG
1
549
0
0
TJ-AC-VK-VH-MK_Data-driven-UQ-CG_softmater2020.pdf.jpg
Journal Article
Data-driven uncertainty quantification for systematic coarse-grained models
Informa UK Limited
1
53
0
0
Deep_CNN_for_BackMap_CG_Models.pdf.jpg
Journal Article
Deep Convolutional Neural Networks for Generating Atomistic Configurations of Multi-Component Macromolecules from Coarse-Graine...
Nicolaou, MihalisHarmandaris, Vangelis
2
254
0
0
Effect_of_the_temperature_on_the_mechanical_properties_and_dynamics_of_chains_PNC.pdf.jpg
Journal Article
Distribution of Mechanical Properties in Poly(ethylene oxide) / Silica Nanocomposites via Atomistic Simulations: From the Glass...
1
92
0
0
PB-EG-LGDH-VH_starmelts_20_arxiv.pdf.jpg
Journal Article
Dynamical heterogeneities in non-entangled polystyrene and poly(ethylene oxide) star melts
1
571
0
1
Journal Article
Dynamical heterogeneities in non-entangled polystyrene and poly(ethylene oxide) star melts
Bacova, Petra
AIP Publishing
0
87
0
0