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Sequence-specific size, structure, and stability of tight protein knotsSep 04 2008Approximately 1% of the known protein structures display knotted configurations in their native fold but their function is not understood. It has been speculated that the entanglement may inhibit mechanical protein unfolding or transport, e.g., as in ... More

How interface geometry dictates water's thermodynamic signature in hydrophobic associationApr 29 2011As a common view the hydrophobic association between molecular-scale binding partners is supposed to be dominantly driven by entropy. Recent calorimetric experiments and computer simulations heavily challenge this established paradigm by reporting that ... More

Interface dynamics of microscopic cavities in waterApr 02 2007An analytical description of the interface motion of a collapsing nanometer-sized spherical cavity in water is presented by a modification of the Rayleigh-Plesset equation in conjunction with explicit solvent molecular dynamics simulations. Quantitative ... More

Thermodynamic Description of the LCST of Charged Thermoresponsive CopolymersNov 12 2013The dependence of the lower critical solution temperature (LCST) of charged, thermosensitive copolymers on their charge fraction and the salt concentration is investigated by employing systematic cloud-point experiments and analytical theory. The latter ... More

Salt-specific stability and denaturation of a short salt-bridge forming alpha-helixAug 28 2008The structure of a single alanine-based Ace-AEAAAKEAAAKA-Nme peptide in explicit aqueous electrolyte solutions (NaCl, KCl, NaI, and KF) at large salt concentrations (3-4 M) is investigated using 1 microsecond molecular dynamics (MD) computer simulations. ... More

Product interactions and feedback in diffusion-controlled reactionsJan 26 2018Steric or attractive interactions among reactants or between reactants and inert crowders can substantially influence the total rate of a diffusion-influenced reaction in the liquid phase. However, the role of the product species, that has typically different ... More

Tuning the permeability of dense membranes by shaping nanoscale potentialsFeb 15 2019The permeability is one of the most fundamental transport properties in soft matter physics, material engineering, and nanofluidics. Here we report by means of Langevin simulations of ideal penetrants in a nanoscale membrane made of a fixed lattice of ... More

Anisotropic Electrostatic Friction of Organic Molecules on ZnO SurfacesAug 19 2014We study the long-time self-diffusion of a single conjugated organic para-sexiphenyl (p-6P) molecule physisorbed on the inorganic ZnO $\left(10\overline{1}0\right)$ surface by means of all-atom molecular dynamics computer simulations. We find strongly ... More

Interaction of Human Serum Albumin with short Polyelectrolytes: A study by Calorimetry and Computer SimulationJul 10 2015We present a comprehensive study of the interaction of human serum albumin (HSA) with poly(acrylic acid) (PAA; number average degree of polymerization: 25) in aqueous solution. The interaction of HSA with PAA is studied in dilute solution as the function ... More

Equilibrium structure and fluctuations of suspensions of colloidal dumbbellsJul 09 2015We investigate the structure and equilibrium linear-response dynamics of suspensions of hard colloidal dumbbells using Brownian Dynamics computer simulations. The focus lies on the dense fluid and plastic crystal states of the colloids with investigated ... More

Swelling of ionic microgel particles in the presence of excluded-volume interactions: a density functional approachJun 18 2017In this work a new density functional theory framework is developed to predict the salt-concentration dependent swelling state of charged microgels and the local concentration of monovalent ions inside and outside the microgel. For this purpose, elastic, ... More

Solvent fluctuations induce non-Markovian kinetics in hydrophobic pocket-ligand bindingFeb 04 2016We investigate the impact of water fluctuations on the key-lock association kinetics of a hydrophobic ligand (key) binding to a hydrophobic pocket (lock) by means of a minimalistic stochastic model system. It describes the collective hydration behavior ... More

A temperature-dependent implicit-solvent model of polyethylene glycol in aqueous solutionOct 25 2017A temperature (T)-dependent coarse-grained (CG) Hamiltonian of polyethylene glycol/oxide (PEG/PEO) in aqueous solution is reported to be used in implicit-solvent material models in a wide temperature (i.e., solvent quality) range. The T-dependent nonbonded ... More

Curvature Dependence of Hydrophobic Hydration DynamicsApr 08 2015We investigate the curvature-dependence of water dynamics in the vicinity of hydrophobic spherical solutes using molecular dynamics simulations. For both, the lateral and perpendicular diffusivity as well as for H-bond kinetics of water in the first hydration ... More

Dynamic density functional theory of protein adsorption on polymer-coated nanoparticlesJun 11 2014Jul 30 2014We present a theoretical model for the description of the adsorption kinetics of globular proteins onto charged core-shell microgel particles based on Dynamic Density Functional Theory (DDFT). This model builds on a previous description of protein adsorption ... More

Rationalizing polymer swelling and collapse under repulsive to highly attractive cosolvent conditionsNov 05 2012The collapse and swelling behavior of a generic homopolymer is studied using implicit-solvent, explicit-cosolvent Langevin dynamics computer simulations for varying interaction strengths. The systematic investigation reveals that polymer swelling is maximal ... More

Ion-specificity in α-helical folding kineticsNov 15 2010The influence of the salts KCl, NaCl, and NaI at molar concentrations on the {\alpha}-helical folding kinetics of the alanine-based oligopeptide Ace-AEAAAKEAAAKA-Nme is investigated by means of (explicit-water) molecular dynamics simulations and a diffusional ... More

Tuning the collapse transition of weakly charged polymers by ion-specific screening and adsorptionAug 10 2018The experimentally observed swelling and collapse response of weakly charged polymers to the addition of specific salts displays quite convoluted behavior that is not easy to categorize. Here we use a minimalistic implicit solvent / explicit salt simulation ... More

Transfer Free Energies and Partitioning of Small Molecules in Collapsed PNIPAM PolymersJan 04 2019A central quantity in the design of functional hydrogels used as nanocarrier systems, for instance for drug delivery or adaptive nanocatalysis, is the partition ratio, which quantifies the uptake of a molecular substance by the polymer matrix. By employing ... More

Cross-linker effect on solute adsorption in swollen thermoresponsive mer networksMar 28 2019The selective solute partitioning within a polymeric network is of key importance to applications in which controlled release or uptake of solutes in a responsive hydrogel is required. In this work we investigate the impact of cross-links on solute adsorption ... More

Non-equilibrium sedimentation of colloids on the particle scaleMar 30 2007We investigate sedimentation of model hard sphere-like colloidal dispersions confined in horizontal capillaries using laser scanning confocal microscopy, dynamical density functional theory, and Brownian dynamics computer simulations. For homogenized ... More

Selective molecular transport in thermo-responsive polymer membranes: role of nanoscale hydration and fluctuationsJun 19 2018For a wide range of modern soft functional materials the selective transport of sub-nanometer-sized molecules (`penetrants') through a stimuli-responsive polymeric membrane is key to the desired function. In this study, we investigate the diffusion properties ... More

How the diffusivity profile reduces the arbitrariness of protein folding free energiesMay 12 2010The concept of a protein diffusing in its free energy folding landscape has been fruitful for both theory and experiment. Yet the choice of the reaction coordinate (RC) introduces an undesirable degree of arbitrariness into the problem. We analyze extensive ... More

Angle-resolved effective potentials for disk-shaped moleculesJul 16 2014Mar 14 2016We present an approach for calculating coarse-grained angle-resolved effective pair potentials for uniaxial molecules. For integrating out the intramolecular degrees of freedom we apply umbrella sampling and steered dynamics techniques in atomistically-resolved ... More

Cross-linker effect on solute adsorption in swollen thermoresponsive polymer networksMar 28 2019Apr 03 2019The selective solute partitioning within a polymeric network is of key importance to applications in which controlled release or uptake of solutes in a responsive hydrogel is required. In this work we investigate the impact of cross-links on solute adsorption ... More

Sorption of proteins to charged microgels: characterizing binding isotherms and driving forcesSep 13 2012We present a set of Langmuir binding models in which electrostatic cooperativity effects to protein sorption is incorporated in the spirit of Guoy-Chapman-Stern models, where the global substrate (microgel) charge state is modified by bound reactants ... More

Theory of Solvation-Controlled Reactions in Stimuli-Responsive NanoreactorsJul 21 2015Metallic nanoparticles embedded in stimuli-responsive polymers can be regarded as nanoreactors since their catalytic activity can be changed within wide limits: the physicochemical properties of the polymer network can be tuned and switched by external ... More

Coarse-grained electrostatic interactions of coronene: Towards the crystalline phaseJun 05 2015Mar 11 2016In this article we present and compare two different, coarse-grained approaches to model electrostatic interactions of disc-shaped aromatic molecules, specifically coronene. Our study builds on previous work [J. Chem. Phys. 141, 214110 (2014)] where we ... More

Resonance Reaction in Diffusion-Influenced Bimolecular ReactionsFeb 24 2016We investigate the influence of a stochastically fluctuating step-barrier potential on bimolecular reaction rates by exact analytical theory and stochastic simulations. We demonstrate that the system exhibits a new resonant reaction behavior with rate ... More

Mean-field dynamical density functional theoryJan 20 2003We examine the out-of-equilibrium dynamical evolution of density profiles of ultrasoft particles under time-varying external confining potentials in three spatial dimensions. The theoretical formalism employed is the dynamical density functional theory ... More

Tuning the critical solution temperature of polymers by copolymerizationOct 08 2015We study statistical copolymerization effects on the upper critical solution temperature (CST) of generic homopolymers by means of coarse-grained Langevin dynamics computer simulations and mean-field theory. Our systematic investigation reveals that the ... More

Charged dendrimers revisited: Effective charge and surface potential of dendritic polyglycerol sulfateJun 02 2017We investigate key electrostatic features of charged dendrimers at hand of the biomedically important dendritic polyglycerol sulfate (dPGS) macromolecule using multi-scale computer simulations and Zetasizer experiments. In our simulation study, we first ... More

Sorption and spatial distribution of protein globules in charged hydrogel particlesApr 25 2017We have theoretically studied the uptake of a non-uniformly charged biomolecule, suitable to represent a globular protein or a drug, by a charged hydrogel carrier in the presence of a 1:1 electrolyte. Based on the analysis of a physical interaction Hamiltonian ... More

Potential of mean force and transient states in polyelectrolyte complexationFeb 21 2016The association between polyelectrolytes (PEs) of the same size but opposite charge is systematically studied in terms of the potential of mean force (PMF) along their center-of-mass reaction coordinate via coarse-grained, implicit-solvent, explicit-salt ... More

Interaction of charged patchy protein models with like-charged polyelectrolyte brushesJan 10 2017We study the adsorption of charged patchy particle models (CPPMs) on a thin film of a like-charged and dense polyelectrolyte (PE) brush (of 50 monomers per chain) by means of implicit-solvent, explicit-salt Langevin dynamics computer simulations. Our ... More

Competition of hydrophobic and Coulombic interactions between nano-sized solutesMay 13 2004The solvation of charged, nanometer-sized spherical solutes in water, and the effective, solvent-induced force between two such solutes are investigated by constant temperature and pressure Molecular Dynamics simulations of model solutes carrying various ... More

Dynamic density functional study of a driven colloidal particle in polymer solutionsSep 25 2003The Dynamic Density Functional (DDF) theory and standard Brownian dynamics simulations (BDS) are used to study the drifting effects of a colloidal particle in a polymer solution, both for ideal and interacting polymers. The structure of the stationary ... More

Reaction rate of a composite core-shell nanoreactor with multiple, spatially distributed embedded nano-catalystsJul 23 2016We present a detailed theory for the total reaction rate constant of a composite core-shell nanoreactor, consisting of a central solid core surrounded by a hydrogel layer of variable thickness, where a given number of small catalytic nanoparticles are ... More

Interaction of Proteins with Polyelectrolytes: A Comparison between Theory and ExperimentOct 08 2018We discuss recent investigations of the interaction of polyelectrolytes with proteins. In particular, we review our recent studies on the interaction of simple proteins such as human serum albumin (HSA) or lysozyme with linear polyelectrolytes, charged ... More

Sensing solvents with ultra-sensitive porous poly(ionic liquid) actuatorsSep 06 2016We introduced a new concept for fabricating solvent stimulus polymer actuators with unprecedented sensitivity and accuracy. This was accomplished by integrating porous architectures and electrostatic complexation gradients in a poly(ionic liquid) membrane ... More

Depletion forces in non-equilibriumJun 03 2003The concept of effective depletion forces between two fixed big colloidal particles in a bath of small particles is generalized to a non-equilibrium situation where the bath of small Brownian particles is flowing around the big particles with a prescribed ... More

Cosolute partitioning in polymer networks: Effects of flexibility and volume transitionsAug 21 2017We study the partitioning of cosolute particles in a thin film of a semi-flexible polymer network by a combination of coarse-grained (implicit-solvent) stochastic dynamics simulations and mean-field theory. We focus on a wide range of solvent qualities ... More

Variational implicit-solvent predictions of the dry-wet transition pathways for ligand-receptor binding and unbinding kineticsJun 17 2019Ligand-receptor binding and unbinding are fundamental biomolecular processes and particularly essential to drug efficacy. Environmental water fluctuations, however, impact the corresponding thermodynamics and kinetics and thereby challenge theoretical ... More

Nonequilibrium Structure of Colloidal Dumbbells under Oscillatory ShearSep 02 2015Nov 03 2015We investigate the nonequilibrium behavior of dense, plastic-crystalline suspensions of mildly anisotropic colloidal hard dumbbells under the action of an oscillatory shear field by employing Brownian dynamics computer simulations. In particular, we extend ... More

Counterion-release entropy governs the inhibition of serum proteins by polyelectrolyte drugsDec 11 2017Dendritic polyelectrolytes constitute high potential drugs and carrier systems for biomedical purposes, still their biomolecular interaction modes, in particular those determining the binding affinity to proteins, have not been rationalized. We study ... More

Impact of Polarity on the Anisotropic Diffusion of Conjugated Organic Molecules on (10-10) Zinc Oxide SurfaceFeb 01 2019We study the influence of polarity on the binding and diffusion of single conjugated organic molecules on the inorganic (10-10) zinc oxide surface by means of all-atom molecular dynamics simulations at room temperature and above. In particular, we consider ... More

Non-Equilibrium Uptake Kinetics of Molecular Cargo into Hollow Hydrogels Tuned by Electrosteric InteractionsJan 17 2019In this work, we use a combination of a phenomenological effective cosolute-hydrogel interaction potential and Dynamic Density Functional Theory to investigate the full non-equilibrium encapsulation kinetics of charged and dipolar cosolutes by an isolated ... More

Catalysis by metallic nanoparticles in solution: Thermosensitive microgels as nanoreactorsFeb 07 2018Metallic nanoparticles have been used as catalysts for various reactions, and the huge literature on the subject is hard to overlook. In many applications, the nanoparticles must be affixed to a colloidal carrier for easy handling during catalysis. These ... More

Ionic force field optimization based on single-ion and ion-pair solvation propertiesDec 22 2009Molecular dynamics simulations of ionic solutions depend sensitively on the force fields employed for the ions. To resolve the fine differences between ions of the same valence and roughly similar size and in particular to correctly describe ion-specific ... More

Selective solute adsorption and partitioning around single PNIPAM chainsDec 11 2016Thermoresponsive polymer architectures have become integral building blocks of 'smart' functional materials in modern applications. For a large range of developments, e.g., for drug delivery or nanocatalytic carrier systems, the selective adsorption and ... More

Catalyzed bimolecular reactions in responsive nanoreactorsJul 19 2017We describe a general theory for surface-catalyzed bimolecular reactions in responsive nanoreactors, catalytically active nanoparticles coated by a stimuli-responsive 'gating' shell, whose permeability controls the activity of the process. We address ... More

Molecular simulations of electrolyte structure and dynamics in lithium-sulfur battery solventsOct 25 2017The performance of modern lithium-sulfur (Li/S) battery systems critically depends on the electrolyte and solvent compositions. For fundamental molecular insights and rational guidance of experimental developments, efficient and sufficiently accurate ... More

Polyelectrolyte-colloid complexes: polarizability and effective interactionAug 06 2002We theoretically study the polarizability and the interactions of neutral complexes consisting of a semi-flexible polyelectrolyte adsorbed onto an oppositely charged spherical colloid. In the systems we studied, the bending energy of the chain is small ... More

Application of the level-set method to the implicit solvation of nonpolar moleculesSep 01 2008A level-set method is developed for numerically capturing the equilibrium solute-solvent interface that is defined by the recently proposed variational implicit solvent model (Dzubiella, Swanson, and McCammon, Phys. Rev. Lett. {\bf 104}, 527 (2006) and ... More

Diffusion in the special theory of relativityMar 04 2009The Markovian diffusion theory is generalized within the framework of the special theory of relativity using a modification of the mathematical calculus of diffusion on Riemannian manifolds (with definite metric) to describe diffusion on Lorentzian manifolds ... More

Evolutionary Model of the Growth and Size of FirmsAug 06 2012The key idea of this model is that firms are the result of an evolutionary process. Based on demand and supply considerations the evolutionary model presented here derives explicitly Gibrat's law of proportionate effects as the result of the competition ... More

A Star Product for Complex Grasmann ManifoldsSep 13 1997We explicitly construct a star product for the complex Grassmann manifolds using the method of phase space reduction. Functions on $\mathbb{C}^{(p+q)\cdot p~*}$, the space of $(p+q)\times p$ matrices of rank p, invariant under the right action of $Gl(p,\mathbb{C})$ ... More

Cospan construction of the graph category of Borisov and ManinNov 30 2016It is shown how the graph category of Borisov and Manin can be constructed from (a variant of) the graph category of Joyal and Kock, essentially by reversing the generic morphisms. More precisely, the morphisms in the Borisov-Manin category are exhibited ... More

The $Δ(1232)$ as an Effective Degree of Freedom in Chiral Perturbation TheoryNov 26 1997Heavy baryon chiral perturbation theory including spin 3/2 delta resonances as effective degrees of freedom is reviewed. The theory admits a systematic expansion in the small scale $\epsilon$, where $\epsilon$ collectively denotes soft momenta, the pion ... More

A Polynomial Description of the Rijndael Advanced Encryption StandardMay 02 2002The paper gives a polynomial description of the Rijndael Advanced Encryption Standard recently adopted by the National Institute of Standards and Technology. Special attention is given to the structure of the S-Box.

Paley-Wiener properties for spaces of power series expansionsApr 26 2019We extend Paley-Wiener results in the Bargmann setting deduced earlier by the author together with E. Nabizadeh and C. Pfeuffer to larger class of power series expansions. At the same time we deduce characterisations of all Pilipovi{\'c} spaces and their ... More

On a Two-Dimensional Symplectic Space-TimeMay 05 2003We realize the hamiltonian action of the one spatial Poincare group G, analogous to the projective unitary representation, on a coadjoint orbit of G whic we interpret as a symplectic space-time where the time is associated to a physical quantity of cohomological ... More

On commutativity of ideal extensionsMay 14 2013In this paper we examine the commutativity of ideal extensions. We introduce methods of constructing such extensions, in particular we construct a noncommutative ring T which contains a central and idempotent ideal I such that T/I is a field. This answers ... More

$C^*$-algebras associated with the $ax+b$-semigroup over $\mathbb N$Nov 17 2006We present a $C^*$-algebra which is naturally associated to the $ax+b$-semigroup over $\mathbb N$. It is simple and purely infinite and can be obtained from the algebra considered by Bost and Connes by adding one unitary generator which corresponds to ... More

Connections between Linear Systems and Convolutional CodesMay 30 2000The article reviews different definitions for a convolutional code which can be found in the literature. The algebraic differences between the definitions are worked out in detail. It is shown that bi-infinite support systems are dual to finite-support ... More

Inductive Analysis on Singular Minimal HypersurfacesAug 14 2008The present paper describes a way to relate Martin boundaries on spaces of varying topology. This enables us to approach some detailed inductive analysis of the eigenfunctions of conformal Laplacians on minimal hypersurfaces near their singularities. ... More

Solvability of Generalized Monomial GroupsJan 22 2009The solvability of monomial groups is a well-known result in character theory. Certain properties of Artin L-series suggest a generalization of these groups, namely to such groups where every irreducible character has some multiple which is induced from ... More

Cyclic Theory and the Bivariant Chern-Connes CharacterMar 31 2001We give a survey of cyclic homology/cohomology theory including a detailed discussion of cyclic theories for various classes of topological algebras. We show how to associate cyclic classes with Fredholm modules and $K$-theory classes and how to construct ... More

A note on the product of two permutations of prescribed ordersAug 10 2015Dec 16 2016We prove a conjecture by Stefan Kohl on the existence of triples of permutations of bounded degree with prescribed orders and product 1. This result leads to an existence result for covers of the complex projective line with bounded degree and prescribed ... More

Universal Monotonicity of Eigenvalue Moments and Sharp Lieb-Thirring InequalitiesOct 09 2008Oct 13 2008We show that phase space bounds on the eigenvalues of Schr\"{o}dinger operators can be derived from universal bounds recently obtained by E. M. Harrell and the author via a monotonicity property with respect to coupling constants. In particular, we provide ... More

Categorification of Hopf algebras of rooted treesSep 27 2011Apr 28 2012We exhibit a monoidal structure on the category of finite sets indexed by P-trees for a finitary polynomial endofunctor P. This structure categorifies the monoid scheme (over Spec N) whose semiring of functions is (a P-version of) the Connes--Kreimer ... More

Hyperbolic Unfoldings of Minimal HypersurfacesMay 06 2018We study the intrinsic geometry of area minimizing (and also of almost minimizing) hypersurfaces from a new point of view by relating this subject to quasiconformal geometry. For any such hypersurface we define and construct a so-called S-structure which ... More

Polynomial functors and combinatorial Dyson-Schwinger equationsDec 09 2015Feb 01 2017We present a general abstract framework for combinatorial Dyson-Schwinger equations, in which combinatorial identities are lifted to explicit bijections of sets, and more generally equivalences of groupoids. Key features of combinatorial Dyson-Schwinger ... More

Perturbative renormalisation for not-quite-connected bialgebrasNov 12 2014We observe that the Connes--Kreimer Hopf-algebraic approach to perturbative renormalisation works not just for Hopf algebras but more generally for filtered bialgebras $B$ with the property that $B_0$ is spanned by group-like elements (e.g. pointed bialgebras ... More

Mossbauer neutrinos in quantum mechanics and quantum field theoryApr 28 2009Jun 12 2009We demonstrate the correspondence between quantum mechanical and quantum field theoretical descriptions of Mossbauer neutrino oscillations. First, we compute the combined rate $\Gamma$ of Mossbauer neutrino emission, propagation, and detection in quantum ... More

Free Choice Petri Nets without frozen tokens and Bipolar Synchronization SystemsSep 17 2006Sep 10 2007Bipolar synchronization systems (BP-systems) constitute a class of coloured Petri nets, well suited for modeling the control flow of discrete, dynamical systems. Every BP-system has an underlying ordinary Petri net, which is a T-system. Moreover, it has ... More

Comment on "Dynamic Scaling of Non-Euclidean Interfaces" [arXiv:0804.1898]Oct 27 2008Feb 23 2009This is the revised version of a Comment on a paper by C. Escudero (Phys. Rev. Lett. 100, 116101, 2008; arXiv:0804.1898).

Lonely adatoms in spaceFeb 14 2003There is a close relation between the problems of second layer nucleation in epitaxial crystal growth and chemical surface reactions, such as hydrogen recombination, on interstellar dust grains. In both cases standard rate equation analysis has been found ... More

Stochastic Calculus with respect to Gaussian ProcessesAug 05 2014May 20 2015Stochastic integration with respect to Gaussian processes, such as fractional Brownian motion (fBm) or multifractional Brownian motion (mBm), has raised strong interest in recent years, motivated in particular by applications in finance, Internet traffic ... More

Gravitational potential energy group theoreticallyApr 30 2003May 05 2003We show by symplectically realizing the one spatial Aristotle Lie group that the hamiltonian of the associated elementary system consist of a gravitational energy only. No kinetic term.

Recursion for twisted descendants and characteristic numbers of rational curvesFeb 03 1999On a space of stable maps, the psi classes are modified by subtracting certain boundary divisors. The top products of modified psi classes, usual psi classes, and classes pulled back along the evaluation maps are called twisted descendants; it is shown ... More

Local finite dimensional Gorenstein k-algebras having Hilbert function (1,5,5,1) are smoothableDec 03 2012Let k be an algebraically closed field of characteristic 0. The question of irreducibility of the punctual Hilbert scheme Hilb_d P^n and its Gorenstein locus for various d was studied in [CEVV8, CN9, CN10, CN11]. In this short paper we prove that the ... More

Arason's filtration of the Witt group of dyadic valued fieldsJan 03 2019Jan 04 2019Generalizing a theorem of Springer, we construct an extended Arason filtration by subgroups for the Witt group of quadratic forms of a general valued field, relating these subgroups with Witt-like groups of the residue field, in arbitrary characteristic. ... More

On rational functions with monodromy group $M_{11}$Mar 23 2015Dec 14 2015We compute new polynomials with Galois group $M_{11}$ over $\mathbb{Q}(t)$. These polynomials stem from various families of covers of $\mathbb{P}^1\mathbb{C}$ ramified over at least 4 points. Each of these families has features that make a detailed study ... More

Elementary components of Hilbert schemesOct 17 2017Apr 07 2019We generalize the Bialynicki-Birula decomposition to singular schemes and apply it to the Hilbert scheme of points on an affine space. We find an infinite family of small, elementary and generically smooth components of the Hilbert scheme of points of ... More

On the reducibility behaviour of Thue polynomialsOct 04 2016We prove a result about reducibility behaviour of Thue polynomials over the rationals that was conjectured by M\"uller. More precisely, we show that, apart from few explicitly given exceptions, these polynomials have only finitely many reducible integer ... More

The International Linear Collider: Prospects and Possible TimelinesJan 29 2019The case for the International Linear Collider and the prospects for its realisation as well as possible timelines are discussed.

Cospan construction of the graph category of Borisov and ManinNov 30 2016Dec 13 2016It is shown how the graph category of Borisov and Manin can be constructed from (a variant of) the graph category of Joyal and Kock, essentially by reversing the generic morphisms. More precisely, the morphisms in the Borisov-Manin category are exhibited ... More

Classifying local Artinian Gorenstein algebrasNov 25 2015Oct 12 2016The classification of local Artinian Gorenstein algebras is equivalent to the study of orbits of a certain non-reductive group action on a polynomial ring. We give an explicit formula for the orbits and their tangent spaces. We apply our technique to ... More

On the number of isolated eigenvalues of a pair of particles in a quantum wireDec 31 2018In this note we consider a pair of particles moving on the positive half-line with the pairing generated by a hard-wall potential. This model was first introduced in [arXiv:1604.06693] and later applied to investigate condensation of pairs of electrons ... More

From Möbius inversion to renormalisationSep 04 2018This paper traces a straight line from classical M\"obius inversion to Hopf-algebraic perturbative renormalisation. This line, which is logical but not entirely historical, consists of just a few main abstraction steps, and some intermediate steps dwelled ... More

Existence of weak solutions of an unsteady thermistor problem with p-Laplacian type equationSep 06 2016We prove the existence of weak solutions to an unsteady thermistor system with p-Laplacian type equation for the electrostatic potential, where the electrical conductivity of the thermistor material is a monotone function of the electric field density. ... More

Images of function and distribution spaces under the Bargmann transformSep 18 2014Jun 08 2016We consider a broad family of test function spaces and their dual (distribution) space. The family includes Gelfand-Shilov spaces, a family of test function spaces introduced by S. Pilipovic. We deduce different characterizations of such spaces, especially ... More

Polynomial functors and combinatorial Dyson-Schwinger equationsDec 09 2015Feb 04 2016We present a general abstract framework for combinatorial Dyson-Schwinger equations, in which combinatorial identities are lifted to explicit bijections of sets, and more generally equivalences of groupoids. Key features of combinatorial Dyson-Schwinger ... More

Efficient numerical diagonalization of hermitian 3x3 matricesOct 24 2006Jul 04 2008A very common problem in science is the numerical diagonalization of symmetric or hermitian 3x3 matrices. Since standard "black box" packages may be too inefficient if the number of matrices is large, we study several alternatives. We consider optimized ... More

Matrix parameterized pseudo-differential calculi on modulation spacesApr 05 2016Sep 25 2016We consider a broad matrix parameterized family of pseudo-differential calculi, containing the usual Shubin's family of pseudo-differential calculi, parameterized by real numbers. We show that continuity properties in the framework of modulation space ... More

Science on YouTube: What users find when they search for climate science and climate manipulationFeb 08 2016Apr 18 2016Online video-sharing sites such as YouTube are very popular and also used by a lot of people to obtain knowledge and information, also on science, health and technology. Technically they could be valuable tools for the public communication of science ... More

C*-algebras associated with algebraic actionsSep 23 2015Dec 03 2015This is a survey of work in which the author was involved in recent years. We consider C*-algebras constructed from representations of one or several algebraic endomorphisms of a compact abelian group - or, dually, of a discrete abelian group. In our ... More

Kinematical versus Dynamical Contractions of the de Sitter Lie algebrasJun 04 2014Jul 13 2015We explicit and clarify better the contraction method that Bacry and Levy-Leblond\cite{jmll} used to link all the kinematical Lie groups. Firstly, we use the kinematical parameters: the speed $c$ of light, the radius $r$ of the universe and the period ... More

Stochastic Calculus with respect to Gaussian ProcessesAug 05 2014Feb 08 2018Stochastic integration with respect to Gaussian processes, such as fractional Brownian motion (fBm) or multifractional Brownian motion (mBm), has raised strong interest in recent years, motivated in particular by applications in finance, Internet traffic ... More