A5093234891- Protein Structure and Dynamics
- Material Dynamics and Properties
- Stochastic processes and statistical mechanics
- Proteins in Food Systems
- Pickering emulsions and particle stabilization
- Surfactants and Colloidal Systems
- Enhanced Oil Recovery Techniques
- Neural Networks and Applications
University of Tübingen
2023-2024
Max Planck Institute for Intelligent Systems
2023
Anisotropic patchy particles have become an archetypical statistical model system for associating fluids. Here, we formulate approach to the Kern–Frenkel via classical density functional theory describe positionally and orientationally resolved equilibrium distributions in flat wall geometries. The is split into a reference part averaged orientational mean-field approximation. To bring kernel form suitable machine learning (ML) techniques, expansion invariants proper incorporation of...
Based on recent advancements in using machine learning for classical density functional theory systems with one-dimensional, planar inhomogeneities, we propose a model application two dimensions (2D) akin to functionals weighted forms, as e. g. fundamental measure (FMT). We implement the fast convolutional layers only and apply it system of hard disks fully 2D inhomogeneous situations. The is trained combination smooth steplike external potentials fluid phase. Pair correlation functions from...
Colloidal model systems are successful in rationalizing emergent phenomena like aggregation, rheology and phase behaviour of protein solutions. theory conjunction with isotropic interaction models is often employed to estimate the stability such In particular, a universal criterion for reduced second virial coefficient at critical point frequently invoked which based on behavior short-range attractive fluids (Noro-Frenkel rule, ). However, if anisotropic protein-protein considered,
Colloidal model systems are successful in rationalizing emergent phenomena like aggregation, rheology and phase behaviour of protein solutions. theory conjunction with isotropic interaction models is often employed to estimate the stability such In particular, a universal criterion for reduced second virial coefficient at critical point $B_2^*$ frequently invoked which based on behavior short-range attractive fluids (Noro-Frenkel rule, $B_2^*\approx-1.5$). However, if anisotropic...
Anisotropic patchy particles have become an archetypical statistical model system for associating fluids. Here we formulate approach to the Kern-Frenkel via classical density functional theory describe positionally and orientationally resolved equilibrium distributions in flat wall geometries. The is split into a reference part averaged orientational mean-field approximation. To bring kernel form suitable machine learning techniques, expansion invariants proper incorporation of...