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Model Hamiltonians are regularly derived from first-principles data to describe correlated matter. However, the standard methods for this contain a number of largely unexplored approximations. For a strongly correlated impurity model…
It can be difficult to identify ways to reduce the complexity of large models whilst maintaining predictive power, particularly where there are hidden parameter interdependencies. Here, we demonstrate that the analysis of model sloppiness…
Biochars have been attracting renewed attention as economical and environmentally friendly carbon sequestration materials with a diverse range of applications. However, experimental developments may be limited by the lack of molecular-level…
Fluctuating-charge models are computationally efficient methods of treating polarization and charge-transfer phenomena in molecular mechanics and classical molecular dynamics simulations. They are also theoretically appealing as they are…
The velocity autocorrelation function (VACF) encapsulates extensive information about a fluid's molecular-structural and hydrodynamic properties. We address the following fundamental question: How well can a purely hydrodynamic description…
The multiscale Monte-Carlo algorithm outlined in Bai and Brandt[1] is applied to a simple model of the polypeptide backbone. Effective coarse level Hamiltonians are derived by a fast Newtonian iterative scheme. The coarse Hamiltonian…
The recombination model as a model for hadronization from a quark-gluon plasma has been recently revived since it has advantages in explaining several important features of the final state produced in heavy-ion collisions at RHIC, such as…
This paper addresses the challenging and interesting inverse problem of reconstructing the spatially varying dielectric constant of a medium from phaseless backscattering measurements generated by single-point illumination. The underlying…
In recent years research on credit risk modelling has mainly focused on default probabilities. Recovery rates are usually modelled independently, quite often they are even assumed constant. Then, however, the structural connection between…
We present a procedure in which known solutions to reflection equations for interaction-round-a-face lattice models are used to construct new solutions. The procedure is particularly well-suited to models which have a known fusion hierarchy…
An electrodynamical coupled cluster (CC) methodology starting from a covariant formalism and an equal time approximation, and finally based on the Dirac-Fock picture of the electron and positron fields and Coulomb gauge, is given here. The…
We investigate discretization strategies for a recently introduced class of energy-based models. The model class encompasses classical port-Hamiltonian systems, generalized gradient flows, and certain systems with algebraic constraints. Our…
In this work, we review and analyze both the theoretical and numerical aspects of strongly and weakly coupled thermoelastic systems. By employing spectral analysis techniques and establishing uniform resolvent estimates, we derive uniform…
We present a lattice model for polymer solutions, explicitly incorporating interactions with a bath of solvent and cosolvent molecules. By exploiting the well-known analogy between polymer systems and the $O(n)$-vector spin model in the…
The Gerasimov-Drell-Hearn and Baldin-Lapidus sum rules are evaluated in the dressed K-matrix model for photon-induced reactions on the nucleon. For the first time the sum $\alpha+\beta$ of the electric and magnetic polarisabilities and the…
In this talk, I discuss the effects, viability, and predictions of the string-theory-motivated K\"ahler Moduli Inflation I (KMII) potential, coupled to a light scalar field $\chi$, which can provide a possible source for today's dark energy…
Empirical observations show that ecological communities can have a huge number of coexisting species, also with few or limited number of resources. These ecosystems are characterized by multiple type of interactions, in particular…
Empirical observations show that ecological communities can have a huge number of coexisting species, also with few or limited number of resources. These ecosystems are characterized by multiple type of interactions, in particular…
We present a theoretical agent-based model of cell evolution under the action of cytotoxic treatments, such as radioteraphy or chemoteraphy. The major features of cell cycle and proliferation, cell damage and repair, and chemical diffusion…
It is shown that the contraction mapping principle with the involvement of a Carleman Weight Function works for a Coefficient Inverse Problem for a 1D hyperbolic equation. Using a Carleman estimate, the global convergence of the…