相关论文: Realizable hyperuniform and nonhyperuniform partic…
Explicit expressions for multimatrix models with complex and unitary matrices allows to couple these models with well-known unitary, orthogonsl and sympletic ensembles. We consider examples of such mixed ensembles which are solvable in the…
We use simple analytic arguments and lattice-based computer simulations to study the growth of structures made from a large number of distinct component types. Components possess 'designed' interactions, chosen to stabilize an equilibrium…
The structural properties of suspensions and other multiphase systems are vital to overall processability, functionality and acceptance among consumers. Therefore, it is crucial to understand the intrinsic connection between the…
We use molecular dynamics simulations to test integral equation theory predictions for the structure of fluids of spherical particles with eight different piecewise-constant pair interaction forms comprising a hard core and a combination of…
Disordered proteins play essential roles in myriad cellular processes, yet their structural characterization remains a major challenge due to their dynamic and heterogeneous nature. We here present a community-driven initiative to address…
We implemented a coarse-graining procedure to construct mesoscopic models of complex molecules. The final aim is to obtain better results on properties depending on slow modes of the molecules. Therefore the number of particles considered…
We discuss issues of structural and practical identifiability of partially observed differential equations which are often applied in systems biology. The development of mathematical methods to investigate structural non-identifiability has…
A novel approach for structure alignment is presented, where the key ingredients are: (1) An error function formulation of the problem simultaneously in terms of binary (Potts) assignment variables and real-valued atomic coordinates. (2)…
A computation of the dynamical structure factor of topologically disordered systems, where the disorder can be described in terms of euclidean random matrices, is presented. Among others, structural glasses and supercooled liquids belong to…
A data table which is arranged according to two factors can often be considered as a compositional table. An example is the number of unemployed people, split according to gender and age classes. Analyzed as compositions, the relevant…
The duality between controllability and observability enables methods developed for full-state control to be applied to full-state estimation, and vice versa. In applications in which control or estimation of all state variables is…
Multicomponent systems are defined as chemical systems that require a quantum mechanical description of two or more different types of particles. Non-Born-Oppenheimer electron-nuclear interactions in molecules, electron-hole interactions in…
Hierarchical clustering is a popular unsupervised data analysis method. For many real-world applications, we would like to exploit prior information about the data that imposes constraints on the clustering hierarchy, and is not captured by…
We have investigated energies and spectroscopic properties such as lifetimes, $g_J$ factors, and hyperfine structure constants of the neutral atoms P through Mc belonging to Group-15, singly ionized atoms S$^+$ through Lv$^+$ of Group-16…
Improving the explainability of the results from machine learning methods has become an important research goal. Here, we study the problem of making clusters more interpretable by extending a recent approach of [Davidson et al., NeurIPS…
The key difficulty in the modelling of large quantum coherent structures lies in keeping track of nonlocal, multipoint quantum correlations between their constituent parts. Here we consider a special case of such a system, a fractal quantum…
A class of unitary operations generated by idealized, semiclassical fields is studied. The operations implemented by sharp potential kicks are revisited and the possibility of performing them by softly varying external fields is examined.…
Markov decision processes model systems subject to nondeterministic and probabilistic uncertainty. A plethora of verification techniques addresses variations of reachability properties, such as: Is there a scheduler resolving the…
In this paper, we consider the structured perturbation analysis for multiple right-hand side linear systems with parameterized coefficient matrix. Especially, we present the explicit expressions for structured condition numbers for multiple…
The unitary coupled cluster (UCC) approximation is one of the more promising wave-function ans\"atze for electronic structure calculations on quantum computers via the variational quantum eigensolver algorithm. However, for large systems…