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Ionization rates and Stark shifts of H$_2$, CO, O$_2$, H$_2$O, and CH$_4$ in static electric fields have been computed with coupled-cluster methods in a basis set of atom-centered Gaussian functions with complex-scaled exponent.…
An iterative procedure is developed with the aim of constructing homogeneity rules for the distribution P(rho,delta) of the particle density rho at resolution scale delta. A single iteration step consists of a change in the normalization…
In this work, we study the effective behavior of a two-dimensional variational model within finite crystal plasticity for high-contrast bilayered composites. Precisely, we consider materials arranged into periodically alternating thin…
Physical nature of dimensional crossovers in weakly coupled Hubbard chains and ladders has been discussed within the framework of the perturbative renormalization-group approach. The difference between these two cases originates from…
Reconstruction of biochemical reaction networks is a central topic in systems biology which raises crucial theoretical challenges in system identification. Nonlinear Ordinary Differential Equations (ODEs) that involve polynomial and…
We study iterative regularization for linear models, when the bias is convex but not necessarily strongly convex. We characterize the stability properties of a primal-dual gradient based approach, analyzing its convergence in the presence…
Constitutive equations are derived for the viscoelastoplastic response of amorphous glassy polymers at isothermal loading with small strains. A polymer is treated as an ensemble of cooperatively relaxing regions (CRR) which rearrange at…
We address the general question of how the molecular weight dependence of chain dynamics in unentangled polymers is modified by blending. By dielectric spectroscopy we measure the normal mode relaxation of polyisoprene in blends with a slow…
Recently, a class of algorithms combining classical fixed point iterations with repeated random sparsification of approximate solution vectors has been successfully applied to eigenproblems with matrices as large as $10^{108} \times…
The phase separation of a simple binary mixture of incompatible linear polymers in solution is investigated using an extension of the sedimentation equilibrium method, whereby the osmotic pressure of the mixture is extracted from the…
When poured into a container, cohesive granular materials form low-density, open granular aggregates. If pressed upon with a ram, these aggregates densify by particle rearrangement. Here we introduce experimental evidence to the effect that…
We formulate the standard real-space renormalization group method in a way which takes into account the correlation between blocks. This is achieved in a dynamical way by means of operators which reflect the influence on a given block of…
We introduce a new approach to a linear-circular regression problem that relates multiple linear predictors to a circular response. We follow a modeling approach of a wrapped normal distribution that describes angular variables and angular…
In this paper, we derive a practical, general framework for creating adaptive iterative (linearization or splitting) algorithms to solve multi-physics problems. This means that, given an iterative method, we derive \textit{a posteriori}…
Probabilistic Coalition Structure Generation (PCSG) is NP-hard and can be recast as an $l_0$-type sparse recovery problem by representing coalition structures as sparse coefficient vectors over a coalition-incidence design. A natural…
The renormalization of a system of coupled scalars fields is analyzed. By introducing a momentum dependent mixing angle we diagonalize the inverse propagator matrix at any momentum $p^2$. The zeros of the inverse propagator matrix, \ie, the…
A recombination reaction model for high-temperature chemical kinetics is derived from ab initio simulations data. A kinetic recombination rate model is derived using a recently developed ab initio state-specific dissociation model and the…
Traditionally, the least squares regression is mainly concerned with studying the effects of individual predictor variables, but strongly correlated variables generate multicollinearity which makes it difficult to study their effects.…
Iteratively Re-weighted Least Squares (IRLS) is a method for solving minimization problems involving non-quadratic cost functions, perhaps non-convex and non-smooth, which however can be described as the infimum over a family of quadratic…
We introduce a hybrid approach to applying the density matrix renormalization group (DMRG) to continuous systems, combining a grid approximation along one direction with a finite Gaussian basis set along the remaining two directions. This…