Related papers: On the Atomic Cluster Expansion: interatomic poten…

Linked cluster expansions provide a useful tool both for analytical and numerical investigations of lattice field theories. The expansion parameter is the interaction strength fields at neighboured lattice sites are coupled. They result…

Knowledge on nuclear cluster physics has increased considerably as nuclear clustering remains one of the most fruitful domains of nuclear physics, facing some of the greatest challenges and opportunities in the years ahead. The occurrence…

We identify a fundamental challenge for non-perturbative linked cluster expansions (NLCEs) resulting from the reduced symmetry on graphs, most importantly the breaking of translational symmetry, when targeting the properties of excited…

Knowledge on nuclear cluster physics has increased considerably since the pioneering discovery of 12C+12C resonances half a century ago and nuclear clustering remains one of the most fruitful domains of nuclear physics, facing some of the…

We derive and analyze a generic, recursive algorithm for estimating all splits in a finite cluster tree as well as the corresponding clusters. We further investigate statistical properties of this generic clustering algorithm when it…

In alloys cluster expansions (CE) are increasingly used to combine first-principles electronic-structure and Monte Carlo methods to predict thermodynamic properties. As a basis-set expansion in terms of lattice geometrical clusters and…

We introduce a new cluster-cumulant expansion (CCE) based on the fixed points of iterative belief propagation (IBP). This expansion is similar in spirit to the loop-series (LS) recently introduced in [1]. However, in contrast to the latter,…

We propose a method based on cluster expansion to study the low activity/high temperature phase of a continuous particle system confined in a finite volume, interacting through a stable and finite range pair potential with negative minimum…

This paper introduces a new generalized polynomial chaos expansion (PCE) comprising measure-consistent multivariate orthonormal polynomials in dependent random variables. Unlike existing PCEs, whether classical or generalized, no…

Radioactive molecules provide a powerful new platform in the search for new physics at energy scales complementary to high-energy particle colliders. By combining enhancements from nuclear properties with the sensitivity and control offered…

The variational cluster approximation (VCA) proposed by M. Potthoff {\it et al.} [Phys. Rev. Lett. {\bf 91}, 206402 (2003)] is extended to electron or spin systems with nonlocal interactions. By introducing more than one source field in the…

Clustering is a widely used unsupervised learning technique involving an intensive discrete optimization problem. Associative Memory models or AMs are differentiable neural networks defining a recursive dynamical system, which have been…

In this work we present a coupled-cluster theory for the propagation of multireference electronic systems initiating at general quantum mechanical states. Our formalism is based on the infinitesimal analysis of modified cluster operators,…

This review article deals with some case studies of relativistic and correlation effects in atomic systems. After a brief introduction to relativistic many-electron theory, a number of applications ranging from correlation energy to parity…

The Unified Astronomy Thesaurus (UAT) is an open, interoperable and community-supported thesaurus which unifies the existing divergent and isolated Astronomy & Astrophysics vocabularies into a single high-quality, freely-available open…

For alloy thermodynamics, we obtain unique, physical effective cluster interactions (ECI) from truncated cluster expansions (CE) via subspace-projection from a complete configurational Hilbert space; structures form a (sub)space spanned by…

We propose a new clustering algorithm, Extended Affinity Propagation, based on pairwise similarities. Extended Affinity Propagation is developed by modifying Affinity Propagation such that the desirable features of Affinity Propagation,…

Adaptive precision molecular dynamics simulations have developed along energy- and force-coupling approaches, which allow for a continuous transition between different particle descriptions or interaction potentials. Most approaches…

We present a review of the Unitary Coupled Cluster (UCC) ansatz and related ans\"atze which are used to variationally solve the electronic structure problem on quantum computers. A brief history of coupled cluster (CC) methods is provided,…

Combinatorial Exploration is a new domain-agnostic algorithmic framework to automatically and rigorously study the structure of combinatorial objects and derive their counting sequences and generating functions. We describe how it works and…