Cover Image

Coarse-grained graph architectures for all-atom force predictions

Fuente: arXiv

Saved in:

Bibliographic Details
Main Authors:	Kang, Sungwoo, Chae, Jinwoong
Format:	Preprint
Published:	2025
Subjects:	Materials Science Soft Condensed Matter
Online Access:	Acceder al recurso
Tags:	Add Tag No Tags, Be the first to tag this record!

Similar Items

Influence of preparation and architecture on the elastic modulus of polymer networks
by: Tian, Jiting, et al.
Published: (2025)

Interplay of network architecture and ionic environment in dictating pNIPAM microgel thermoresponsiveness
by: KS, Syamjith, et al.
Published: (2026)

From Connectivity to Rupture: A Coarse-Grained Stochastic Network Dynamics Approach to Polymer Network Mechanics
by: Mohanty, Shaswat, et al.
Published: (2026)

The origin of strings and rings in the atomic dynamics of disordered systems
by: Hussein, Omar, et al.
Published: (2024)

Phase coexistence in thermo-responsive PNIPAM hydrogels triggered by mechanical forces
by: Cohen, Noy
Published: (2025)

Coarse grained modeling of a metal-organic framework/polymer composite and its gas adsorption at the nanoparticle level
by: Alvares, Cecilia M. S., et al.
Published: (2024)

Biaxial characterization of soft elastomers: experiments and data-adaptive configurational forces for fracture
by: Moreno-Mateos, Miguel Angel, et al.
Published: (2025)

Coarse-Grained Molecular Dynamics Simulations of Oxidative Aging and Stabilization in Polymer Melts with Primary Antioxidants: Effects of Antioxidant Concentration and Molecular Architecture
by: Ishida, Takato, et al.
Published: (2026)

Electric-field control of hydrogen bonding via interfacial charge at atomic resolution
by: Doudin, Nassar, et al.
Published: (2026)

Mechanics of hierarchical twisted and coiled polymer artificial muscles: Decoupling force from kinematic limits
by: Xiao, Ye, et al.
Published: (2026)

Analysis of water ice in nanoporous copper needles using cryo atom probe tomography
by: Tegg, Levi, et al.
Published: (2024)

Complex network analysis of pore structures in monodisperse granular materials with varied grain shapes
by: Qi, Jie, et al.
Published: (2025)

Curved crack paths are predicted by elastic-charges
by: Szachter, Oran, et al.
Published: (2025)

Mid-infrared photo-induced force microscopy (IR-PiFM/PiF-IR) -- Answers to some questions
by: Täuber, Daniela
Published: (2026)

Machine learning assisted prediction of organic salt structure properties
by: Shapera, Ethan P., et al.
Published: (2024)

Multiscale analysis and lifetime prediction of adhesive lap joints in contact with aggressive environments
by: Ariza, M. P., et al.
Published: (2025)

Composition-agnostic prediction of self-assembly in multicomponent amphiphile mixtures from molecular structure
by: Ishiwatari, Yuuki, et al.
Published: (2025)

Thermodynamic compatibility of actives encapsulated into PEG-PLA nanoparticles: In Silico predictions and experimental verification
by: Erlebach, Andreas, et al.
Published: (2024)

Evaluating fracture energy predictions using phase-field and gradient-enhanced damage models for elastomers
by: Mousavi, S. Mohammad, et al.
Published: (2024)

polyRETRO: a Language Model Approach to predict Polymerization Class and Monomer(s) for a Target Polymer
by: Agarwal, Sakshi, et al.
Published: (2025)

Magnetic elastomers as specific soft actuators -- predicting particular modes of deformation from selected configurations of magnetizable inclusions
by: Fischer, Lukas, et al.
Published: (2023)

Cooperative polymer dynamics at the crossover between the unentangled and the entangled regimes: theoretical predictions of scattering and linear shear relaxation for polyethylene melts
by: Guenza, M. G.
Published: (2024)

High-speed quantitative nanomechanical mapping by photothermal off-resonance atomic force microscopy
by: Gunstheimer, Hans, et al.
Published: (2025)

Surfactant-Driven Dynamic Changes in Rheology of Activated Carbon Slurry Electrodes
by: Das, Mohan, et al.
Published: (2024)

Engineering phase-frustration induced flat bands in an aza-triangulene covalent Kagome lattice
by: Yan, Yuyi, et al.
Published: (2025)

Design and demonstration of a direct air capture system with moisture-driven CO2 delivery into aqueous medium
by: Flory, Justin, et al.
Published: (2025)

ToPolyAgent: AI Agents for Coarse-Grained Topological Polymer Simulations
by: Ding, Lijie, et al.
Published: (2025)

Molecular Dynamics Simulations of Anisotropic Particles Accelerated by Neural-Net Predicted Interactions
by: Argun, B. Rusen, et al.
Published: (2024)

Adhesive forces in droplet kinetic friction
by: McHale, Glen, et al.
Published: (2025)

Graph-Coarsening for Machine Learning Coarse-grained Molecular Dynamics
by: Mondal, Soumya, et al.
Published: (2025)

Coarse-grained models for phase separation in DNA-based fluids
by: De Karmakar, Soumen, et al.
Published: (2024)

MARTINI Coarse-grained Force Field for Thermoplastic Starch Nanocomposites
by: Patidar, Ankit, et al.
Published: (2024)

Synthetic design of force-responsive hydrogels with ring-forming catch bonds
by: Laeremans, Wout, et al.
Published: (2026)

Coarse-graining bistability with the Martini force field
by: Muratov, Alexander D., et al.
Published: (2024)

Coarse-graining DNA: Symmetry, non-local elasticity and persistence length
by: Fosado, Yair Augusto Gutierrez, et al.
Published: (2022)

Imprinting Macroscopic Fracture during Gelation: A Mechanism for Tuning Colloidal Gels
by: Smit, Wilbert J., et al.
Published: (2025)

Impact of Acid Hydrolysis on Morphology, Rheology, Mechanical Properties, and Processing of Thermoplastic Starch
by: Kouka, Saffana, et al.
Published: (2025)

Hydrogel-to-Aerogel Transitions in Polymer-Particle Hydrogels Expand the Wildfire Defense Window
by: Dong, Changxin, et al.
Published: (2025)

Magnetically induced deformation of isotropic magneto-active elastomers and its relation to the magnetorheological effect
by: Roghani, Mehran, et al.
Published: (2025)

Localization of deformation in the central hub of hub-and-spoke kirigami
by: Barckicke, Jason, et al.
Published: (2025)