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We propose a streamlined combination scheme of the transcorrelation (TC) and coupled cluster (CC) theory, which not only increases the convergence rate with respect to the basis set, but also extends the applicability of the lowest order CC…
Through the development of many-body methodology and algorithms, it has become possible to describe quantum systems composed of a large number of particles with great accuracy. Essential to all these methods is the application of auxiliary…
This paper addresses the challenges of solving the quantum many-body problem, particularly within nuclear physics, through the configuration interaction (CI) method. Large-scale shell model calculations often become computationally…
We extend the spherical coupled-cluster ab initio method for open-shell nuclei where two nucleons are removed from a shell subclosure. Following the recent implementation of the two-particle attached approach [Phys. Rev.C 110 (2024) 4,…
In order to efficiently explore the chemical space of all possible small molecules, a common approach is to compress the dimension of the system to facilitate downstream machine learning tasks. Towards this end, we present a data driven…
We propose a general strategy to develop quantum many-body approximations of primitives in linear algebra algorithms. As a practical example, we introduce a coupled-cluster inspired framework to produce approximate Hamiltonian moments, and…
This paper explores the problem of clustering ensemble, which aims to combine multiple base clusterings to produce better performance than that of the individual one. The existing clustering ensemble methods generally construct a…
The Contractor Renormalization (CORE) method is applied in combination with modern effective-theory techniques to the nuclear many-body problem. A one-dimensional--yet ``realistic''--nucleon-nucleon potential is introduced to test these…
The coupled cluster method (CCM) is a method of quantum many-body theory that may provide accurate results for the ground-state properties of lattice quantum spin systems even in the presence of strong frustration and for lattices of…
Modern effective-theory techniques are applied to the nuclear many-body problem. A novel approach is proposed for the renormalization of operators in a manner consistent with the construction of the effective potential. To test this…
The aim of this dissertation is to clarify the structure of entanglement, a type of quantum correlations, in various quantum systems with a large number of degrees of freedom for holography between generic quantum systems and spacetimes…
The impact of applying state-of-the-art tensor factorization techniques to modern nuclear Hamiltonians derived from chiral effective field theory is investigated. Subsequently, the error induced by the tensor decomposition of the input…
The nonperturbative Hamiltonian eigenvalue problem for bound states of a quantum field theory is formulated in terms of Dirac's light-front coordinates and then approximated by the exponential-operator technique of the many-body…
Modern graph or network datasets often contain rich structure that goes beyond simple pairwise connections between nodes. This calls for complex representations that can capture, for instance, edges of different types as well as so-called…
We demonstrate the use of the Variational Quantum Eigensolver (VQE) to simulate solid state crystalline materials. We adapt the Unitary Coupled Cluster ansatz to periodic boundary conditions in real space and momentum space representations…
This article introduces HODLR2D, a new hierarchical low-rank representation for a class of dense matrices arising out of $N$ body problems in two dimensions. Using this new hierarchical framework, we propose a new fast matrix-vector product…
A new scheme of first-principles computation for strongly correlated electron systems is proposed. This scheme starts from the local-density approximation (LDA) at high-energy band structure, while the low-energy effective Hamiltonian is…
A new electronic structure model is developed in which the ground state energy of a molecular system is given by a Hartree-Fock-like expression with parametrized one- and two-electron integrals over an extended (minimal + polarization) set…
Modern high-performance computing architectures (Multicore, GPU, Manycore) are based on tightly-coupled clusters of processing elements, physically implemented as rectangular tiles. Their size and aspect ratio strongly impact the achievable…
We develop a new formalism to treat nuclear many-body systems using bare nucleon-nucleon interaction. It has become evident that the tensor interaction plays important role in nuclear many-body systems due to the role of the pion in…