相关论文: Multireference linearized Coupled Cluster theory f…
Continuous Matrix Product States (cMPS) are powerful variational ansatz states for ground states of continuous quantum field theories in (1+1) dimension. In this paper we introduce a novel parametrization of the cMPS wave function based on…
We propose a relativistic unitary coupled cluster (UCC) expectation value approach for computing first-order properties of heavy-element systems. Both perturbative (UCC3) and non-perturbative (qUCC) commutator-based formulations are applied…
Coupled-cluster theory with single and double excitations (CCSD) is a promising ab initio method for the electronic structure of three-dimensional metals, for which second-order perturbation theory (MP2) diverges in the thermodynamic limit.…
The System Level Synthesis (SLS) approach facilitates distributed control of large cyberphysical networks in an easy-to-understand, computationally scalable way. We present an overview of the SLS approach and its associated extensions in…
Projected Hartree-Fock theory provides an accurate description of many kinds of strong correlations but does not properly describe weakly-correlated systems. On the other hand, single-reference methods such as configuration interaction or…
A novel approach to rapidly converging high-level coupled-cluster (CC) energetics in an automated fashion is proposed. The key idea is an adaptive selection of the excitation manifolds defining higher-than-two-body components of the cluster…
Correlation clustering is a central topic in unsupervised learning, with many applications in ML and data mining. In correlation clustering, one receives as input a signed graph and the goal is to partition it to minimize the number of…
Matchgates and Clifford circuits are two types of quantum circuits which can be efficiently simulated classically, though the underlying reasons are quite different. Matchgates are essentially the single particle basis transformations in…
Industrial embedded systems are typically used to execute simple control algorithms due to their low computational resources. Despite these limitations, the implementation of advanced control techniques such as Model Predictive Control…
This paper proposes a parallelizable algorithm for linear-quadratic model predictive control (MPC) problems with state and input constraints. The algorithm itself is based on a parallel MPC scheme that has originally been designed for…
We present massively parallel (MPC) algorithms and hardness of approximation results for computing Single-Linkage Clustering of $n$ input $d$-dimensional vectors under Hamming, $\ell_1, \ell_2$ and $\ell_\infty$ distances. All our…
Theory of one-electron transition density matrices has been formulated within the time-independent coupled cluster method for the polarization propagator [R. Moszynski, P. S. \.Zuchowski, and B. Jeziorski, Coll. Czech. Chem. Commun. {\bf…
Secure Multi-party Computation (MPC) enables untrusted parties to jointly compute a function without revealing their inputs. Its application to machine learning (ML) has gained significant attention, particularly for secure inference…
This paper presents a hierarchical control scheme for interconnected linear systems. At the higher layer of the control structure a robust centralized Model Predictive Control (MPC) algorithm based on a reduced order dynamic model of the…
We adapt the Coupled Cluster Method to solid state strongly correlated lattice Hamiltonians extending the Coupled Cluster linear response method to the calculation of electronic spectra and obtaining the space-time Fourier transforms of…
The most essential concept in concurrent multiscale methods involving atomistic-continuum coupling is how to define the relation between atomistic and continuum regions. A well-known coupling method that has been frequently employed in…
Matrix product states (MPS) are a standard tensor-network representation for ground states of one-dimensional quantum many-body systems, and they underpin widely used simulation tools such as DMRG. However, while quantum model checking has…
We incorporate a canonical polyadic decomposition (CPD) based low-level solver as a means to accelerate the environment-level solver for the recently developed MPCC embedding framework. Using CPD, we both factorize the three dominant…
A relativistic coupled-cluster (RCC) theory is implemented to study electron impact excitations of atomic species. As a test case, the electron impact excitations of the $3s ~ ^2S_{1/2} - 3p ~ ^2P_{1/2;3/2}$ resonance transitions are…
Coupled cluster (CC) has established itself as a powerful theory to study correlated quantum many-body systems. Finite-temperature generalizations of CC theory have attracted considerable interest and have been shown to work as nicely as…