2k citations
Counting papers with at most 25 authors, so collaboration author lists do not stand in for the people here.
- Centre National de la Recherche ScientifiqueFR75 papers
- University of MünsterDE37 papers
- Los Alamos National LaboratoryUS33 papers
- Max Planck Institute for Dynamics and Self-OrganizationDE26 papers
- Observatoire de la Côte d’AzurFR26 papers
- University of StuttgartDE25 papers
- Friedrich-Alexander-Universität Erlangen-NürnbergDE23 papers
- Heinrich Heine University DüsseldorfDE23 papers
- Northwestern UniversityUS23 papers
- Deutsches Elektronen-Synchrotron DESYDE22 papers
- Bogolyubov Institute for Theoretical PhysicsUA21 papers
- ETH ZurichCH21 papers
204 papers · 1 filter
Metadensity functional learning for classical fluids: Regularizing with pair correlations
Stefanie M. Kampa, Florian Sammüller, Matthias Schmidt
We investigate and exploit consequences of the recent neural metadensity functional theory [Kampa et al., Phys. Rev. Lett. 134, 107301 (2025), 10.1103/PhysRevLett.134.107301] for d…
Probing molecular-motor forces driving Chlamydomonas gliding motility by holographic microscopy
Nicolas Fares, Elorri Garcia, Ahmad Badr +5
The unicellular microalga Chlamydomonas reinhardtii is a widely used model microswimmer for biophysicists. However, the interest around C. reinhardtii goes beyond its swimming capa…
Learning the bulk and interfacial physics of liquid-liquid phase separation with neural density functionals
Silas Robitschko, Florian Sammüller, Matthias Schmidt +1
We use simulation-based supervised machine learning and classical density functional theory to investigate bulk and interfacial phenomena associated with phase coexistence in binar…
Determining the chemical potential via universal density functional learning
Florian Sammüller, Matthias Schmidt
We demonstrate that the machine learning of density functionals allows one to determine simultaneously the equilibrium chemical potential across simulation datasets of inhomogeneou…
Topological sorting of magnetic colloidal bipeds
Aneena Rinu Perayil, Piotr Kuświk, Maciej Urbaniak +5
Topologically nontrivial adiabatic loops of the orientation of a homogeneous external magnetic field drive the walking of paramagnetic colloidal bipeds above a deformed quasi-perio…
Topologically cloaked magnetic colloidal transport
Anna M. E. B. Rossi, Thomas Märker, Nex C. X. Stuhlmüller +8
Cloaking is a method of making obstacles undetectable. Here we cloak unit cells of a magnetic pattern squeezed into an otherwise periodic pattern from a magnetically driven colloid…
Magnetic colloidal single particles and dumbbells on a tilted washboard moire pattern in a precessing external field
Farzaneh Farrokhzad, Nex C. X. Stuhlmüller, Piotr Kuświk +6
We measure the dynamical behavior of colloidal singlets and dumbbells on an inclined magnetic moiré pattern, subject to a precessing external homogeneous magnetic field. At low ext…
Why hyperdensity functionals describe any equilibrium observable
Florian Sammüller, Matthias Schmidt
We give an introductory account of the recent hyperdensity functional theory for the equilibrium statistical mechanics of soft matter systems [F. Sammüller et al., Phys. Rev. Lett.…
Metadensity functional theory for classical fluids: Extracting the pair potential
Stefanie M. Kampa, Florian Sammüller, Matthias Schmidt +1
The excess free energy functional of classical density functional theory depends upon the type of fluid model, specifically on the choice of (pair) potential, is unknown in general…
Neural density functional theory of liquid-gas phase coexistence
Florian Sammüller, Matthias Schmidt, Robert Evans
We use supervised machine learning together with the concepts of classical density functional theory to investigate the effects of interparticle attraction on the pair structure, t…
Neural density functionals: Local learning and pair-correlation matching
Florian Sammüller, Matthias Schmidt
Recently Dijkman et al. (arXiv:2403.15007) proposed training classical neural density functionals via bulk pair-correlation matching. We show their method to be an efficient regula…
Topologically controlled synthesis of active colloidal bipeds
Jonas Elschner, Farzaneh Farrokhzad, Piotr Kuświk +6
Topological growth control allows to produce a narrow distribution of outgrown colloidal rods with defined and adjustable length. We use an external magnetic field to assemble para…
Hyper-density functional theory of soft matter
Florian Sammüller, Silas Robitschko, Sophie Hermann +1
We present a scheme for investigating arbitrary thermal observables in spatially inhomogeneous equilibrium many-body systems. Extending the grand canonical ensemble yields any give…
Noether invariance theory for the equilibrium force structure of soft matter
Sophie Hermann, Florian Sammüller, Matthias Schmidt
We give details and derivations for the Noether invariance theory that characterizes the spatial equilibrium structure of inhomogeneous classical many-body systems, as recently pro…
Why neural functionals suit statistical mechanics
Florian Sammüller, Sophie Hermann, Matthias Schmidt
We describe recent progress in the statistical mechanical description of many-body systems via machine learning combined with concepts from density functional theory and many-body…
Simultaneous and independent topological control of identical microparticles in non-periodic energy landscapes
N. C. X. Stuhlmüller, F. Farrokhzad, P. Kuświk +6
Topological protection ensures stability of information and particle transport against perturbations. We explore experimentally and computationally the topologically protected tran…
Hyperforce balance via thermal Noether invariance of any observable
Silas Robitschko, Florian Sammüller, Matthias Schmidt +1
Noether invariance in statistical mechanics provides fundamental connections between the symmetries of a physical system and its conservation laws and sum rules. The latter are exa…
Active crystallization from power functional theory
Sophie Hermann, Matthias Schmidt
We address the gas, liquid, and crystal phase behaviour of active Brownian particles in three dimensions. The nonequilibrium force balance at coexistence leads to equality of state…
Neural functional theory for inhomogeneous fluids: Fundamentals and applications
Florian Sammüller, Sophie Hermann, Daniel de las Heras +1
We present a hybrid scheme based on classical density functional theory and machine learning for determining the equilibrium structure and thermodynamics of inhomogeneous fluids. T…
Polymer Informatics Beyond Homopolymers
Shivank S. Shukla, Christopher Kuenneth, Rampi Ramprasad
Polymers are diverse and versatile materials that have met a wide range of material application demands. They come in several flavors and architectures, e.g., homopolymers, copolym…
Effect of sample height and particle elongation in the sedimentation of colloidal rods
Tobias Eckert, Matthias Schmidt, Daniel de las Heras
We study theoretically the effect of a gravitational field on the equilibrium behaviour of a colloidal suspension of rods with different length-to-width aspect ratios. The bulk pha…
Perspective: How to overcome dynamical density functional theory
Daniel de las Heras, Toni Zimmermann, Florian Sammüller +2
We argue in favour of developing a comprehensive dynamical theory for rationalizing, predicting, designing, and machine learning nonequilibrium phenomena that occur in soft matter.…
Noether-Constrained Correlations in Equilibrium Liquids
Florian Sammüller, Sophie Hermann, Daniel de las Heras +1
Liquid structure carries deep imprints of an inherent thermal invariance against a spatial transformation of the underlying classical many-body Hamiltonian. At first order in the t…
Reduced-variance orientational distribution functions from torque sampling
Johannes Renner, Matthias Schmidt, Daniel de las Heras
We introduce a method to sample the orientational distribution function in computer simulations. The method is based on the exact torque balance equation for classical many-body sy…