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Data for: Finite-size scaling and thermodynamics of model supercooled...
Data for: Finite-size scaling and thermodynamics of model supercooled liquids: long-range concentration fluctuations and the role of attractive interactions Available here:... -
Publication (arXiv version): Polymer Knots in Thin Films: Thickness...
Polymer Knots in Thin Films: Thickness Dependence, Local Effects, and Stiffness -
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Publication: Viscosity of flexible and semiflexible ring melts: Molecular...
Viscosity of flexible and semiflexible ring melts: Molecular origins and flow-induced segregation -
Publication: Influence of topology on rheological properties of polymer ring melts
Influence of topology on rheological properties of polymer ring melts -
Publication: Effect of simple shear on knotted polymer coils and globules
Effect of simple shear on knotted polymer coils and globules -
Publication: Knots in polymer molecules under Poiseuille flow
Knots in polymer molecules under Poiseuille flow -
Publication: Can polymer helicity affect topological chirality of polymer knots?
Can polymer helicity affect topological chirality of polymer knots? -
Publication: Can dynamic helical polymers be reduced to linear chains of spins?
Can dynamic helical polymers be reduced to linear chains of spins? Non-local effects from polymer self-avoidance -
Data for the paper "Chemical potentials of hydrogen-bonded aqueous mixtures...
In this folder, you can find the raw data reported in: https://doi.org/10.1063/5.0326808 -
Tensor Channel Equivariant Graph Neural Networks for Molecular...
This paper improves uponn the previous paper published at the NeurIPS '25 ML4PhysicalScience-Workshop by using overcomplete generating sets rather than a basis to represent... -
Discretizing Group-Convolutional Neural Networks for 3D Geometry in Feature...
A paper that describes how to speed-up deep learning on 3D point clouds with (G-)CNNs by compressing its linear representation layers by a local partial symmetry analysis. -
General Nonlinearities in SO(2)-Equivariant Networks (Paper)
Handling general nonlinearities in group-convolutional networks with SO(2)-invariance. -
Graph Neural Networks with Local Frames (Paper)
The paper describes a graph neural network architecture that uses local frames to predict local geometric properties.. -
ICML25 ARC-AGI Challange Paper
The paper describes the techniques used in the competition for the ARC (Version 1) challenge, which the authors won in 2024. -
Local-density-dependent potentials for conjugated organic molecules
Processed (=secondary) data for figures contained in both manuscripts. -
Molecular Structure and Dynamics in Wet Gecko β-Keratin
Coarse-grained molecular dynamics simulation of Gecko keratin interacting with a solid substrate under various wet and dry conditions, pull-off forces, dry adhesion. -
Water Uptake by Gecko β-Keratin
Grand-canonical atomistic simulation of the water uptake by gecko β-keratin at different relative humidities, influence of water content on its volume swelling and elasticity. -
Continuum–Particle Coupling for Polymer Simulations
Development of a new scheme for concurrent coupling of molecular dynamics and finite element simulations. Application to large-scale deformation of polymer glasses. -
Self-Assembly of Model Triblock Janus Colloidal Particles in Two Dimensions
Steered simulation of two-dimensional self-assembly of triblock Janus particles on a solid substrate into different ordered structures. Dependence of structure, pathway, and...