Cover Image

Probing Glass Formation in Perylene Derivatives via Atomic Scale Simulations and Bayesian Regression

Fuente: arXiv

Saved in:

Bibliographic Details
Main Authors:	Lindgren, Eric, Swensson, Jan, Müller, Christian, Erhart, Paul
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

Predicting neutron experiments from first principles: A workflow powered by machine learning
by: Lindgren, Eric, et al.
Published: (2025)

A New Approach to the Glass Transition of Percolated Polymers from the Perspective of Thermal Volume Expansion
by: Krüger, Jan-Kristian, et al.
Published: (2025)

Active Sparse Bayesian Committee Machine Potential for Isothermal-Isobaric Molecular Dynamics Simulations
by: Willow, Soohaeng Yoo, et al.
Published: (2024)

Universality of Dynamic and Thermodynamic Behavior of Polymers near their Glass Transition
by: Ginzburg, Valeriy V., et al.
Published: (2024)

Dry Glass Reference Perturbation Theory: Development, Applications and Extensions
by: Marshall, Bennett D.
Published: (2026)

Roughness-controlled Tribocharging Governs Friction in Dry Glass Contacts
by: Peng, Liang, et al.
Published: (2026)

Glass-like anomalies and unconventional thermoelectric transport in chimney ladder crystals
by: Mandyam, Srinivas V., et al.
Published: (2025)

Machine Learning-integrated Multiscale Simulation Framework: Bridging Scales in Associative Polymer-Colloid Suspensions
by: Abdolahi, Jalal, et al.
Published: (2026)

The Properties of Glass Fiber Reinforced Polypropylene Filaments Recycled from Fishing Gear
by: Russell, Garrett
Published: (2024)

Nanoscale Analysis of Surface Modifications on Silanized Glass: Wettability Alteration and Long-Term Stability
by: Khoeini, Mohammad Hossein, et al.
Published: (2024)

Generalized Entropy Theory Investigation of the Relatively High Segmental Fragility of Many Glass-Forming Polymers
by: Xu, Xiaolei, et al.
Published: (2024)

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

Atomic bonding in equilibrium single-component melts. The cases of arsenic, antimony and bismuth
by: Tsygankov, Artem A., et al.
Published: (2025)

A Sparse Bayesian Committee Machine Potential for Hydrocarbons
by: Willow, Soohaeng Yoo, et al.
Published: (2024)

Crosslinking degree variations enable programming and controlling soft fracture via sideways cracking
by: Moreno-Mateos, Miguel Angel, et al.
Published: (2024)

Review: Simulational Tests of the Rouse Model
by: Phillies, George D. J.
Published: (2022)

Effects of Stirring Time on Formation of Microplastics Fragmented from Photo-aged Polypropylene
by: Haremaki, Kazuya, et al.
Published: (2025)

From the dynamic to the static glass transition via hypersonic measurements using Brillouin spectroscopy
by: Krüger, Jan-Kristian, et al.
Published: (2025)

Scaling in Kinetics of Supercooled Liquids
by: Zhang, B., et al.
Published: (2023)

Simulation of the carbon dioxide hydrate-water interfacial energy
by: Acuña, Jesús Algabaa Esteban, et al.
Published: (2026)

Radical-Induced Changes in Transition Metal Interfacial Magnetic Properties: A Blatter Derivative on Polycrystalline Cobalt
by: Nowik-Boltyk, Ewa Malgorzata, et al.
Published: (2024)

Probing microsecond dynamics of disperse nanoparticles at oil-water interfaces using nanometer localization precision total-internal-reflection dark-field microscopy
by: Schumacher, Anne Y.
Published: (2025)

Computing finite--temperature elastic constants with noise cancellation
by: Mukherji, Debashish, et al.
Published: (2025)

Molecular Simulations of Quantized Lamellar Thickening in Polyethylenes with Regularly Spaced Brominated Groups
by: Gabana, Kutlwano, et al.
Published: (2024)

Dynamics of Polyalkylfluorene Conjugated Polymers: Insights from Neutron Spectroscopy and Molecular Dynamics Simulations
by: Zbiri, Mohamed, et al.
Published: (2024)

TMM$-$Sim: A Versatile Tool for Optical Simulation of Thin$-$Film Solar Cells
by: Benatto, Leandro, et al.
Published: (2024)

Cutting Soft Matter: Scaling relations controlled by toughness, friction, and wear
by: Goda, Bharath Antarvedi, et al.
Published: (2024)

Scattering-Based Structural Inversion of Soft Materials via Kolmogorov-Arnold Networks
by: Tung, Chi-Huan, et al.
Published: (2024)

Emergence of Accurate Atomic Energies from Machine Learned Noble Gas Potentials
by: Uhlig, Frank, et al.
Published: (2024)

Competitive Adsorption in Polymer Nanocomposites: The Molecular Weight and End-Group Effect Revealed by SANS and MD Simulations
by: Kong, Tae Yeon, et al.
Published: (2025)

Simulating Crystallization in a Colloidal System Using State Predictive Information Bottleneck based Enhanced Sampling
by: Meraz, Vanessa J., et al.
Published: (2024)

Scaling of Structure and Dynamics in Molecular Liquids: Insights from Pressure Experiments and Molecular Dynamics
by: Lørup, Erik
Published: (2025)

Hydroxide Transport and Mechanical Properties of Polyolefin-Based Anion Exchange Membranes from Atomistic Molecular Dynamics Simulations
by: Otmi, Mohammed Al, et al.
Published: (2024)

Thermal conductivity of commodity polymers under high pressures
by: de Alencar, Otavio Higino Moura, et al.
Published: (2025)

Experimental determination of the glass transition temperature in a very narrow temperature range by Temperature Modulated Optical Refractometry
by: Klingler, Andreas, et al.
Published: (2023)

Gaussian Process Regression-based Knowledge Distillation Framework for Simultaneous Prediction of Physical and Mechanical Properties of Epoxy Polymers
by: S., Sindu B., et al.
Published: (2026)

Ready-to-Use Polymerization Simulations Combining Universal Machine Learning Interatomic Potential with Time-Dependent Bond Boosting for Polymer and Interface Design
by: Mori, Hodaka, 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)

Escape from the Second Dimension: A Topological Distinction Between Edge and Screw Dislocations
by: Severino, Paul G., et al.
Published: (2023)

The Origin of Organic Magnetoresistance Using Time-Domain Magnetic Spectroscopy
by: Ishai, Paul Ben, et al.
Published: (2025)