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Very few works exist to date on development of a consistent energy-based coupling of atomistic and continuum models of materials in more than one dimension. The difficulty in constructing such a coupling consists in defining a coupled…

Numerical Analysis · Mathematics 2012-09-11 Alexander V. Shapeev

Robust control design for quantum unitary transformations has been recognized as a fundamental and challenging task in the development of quantum information processing due to unavoidable decoherence or operational errors in the…

Quantum Physics · Physics 2018-06-07 Chengzhi Wu , Bo Qi , Chunlin Chen , Daoyi Dong

Computer simulation is an important tool for scientific progress, especially when lab experiments are either extremely costly and difficult or lack the required resolution. However, all of the simulation methods come with limitations. In…

Fluid Dynamics · Physics 2023-08-04 Edward R. Smith , Panagiotis E. Theodorakis

Pairing correlations in nuclei play a decisive role in determining nuclear drip-lines, binding energies, and many collective properties. In this work a new Configuration-Space Monte-Carlo (CSMC) method for treating nuclear pairing…

Nuclear Theory · Physics 2015-03-23 Mark Lingle , Alexander Volya

This paper analyzes general spatially-coupled (SC) systems with multi-dimensional coupling. A continuum approximation is used to derive potential functions that characterize the performance of the SC systems. For any dimension of coupling,…

Information Theory · Computer Science 2013-04-19 Keigo Takeuchi , Toshiyuki Tanaka , Kenta Kasai

Robust control design for quantum systems has been recognized as a key task in the development of practical quantum technology. In this paper, we present a systematic numerical methodology of sampling-based learning control (SLC) for…

Quantum Physics · Physics 2016-03-29 Daoyi Dong , Mohamed A. Mabrok , Ian R. Petersen , Bo Qi , Chunlin Chen , Herschel Rabitz

Classical atomistic simulations based on interatomic potentials resolve lattice instabilities, defect nucleation, and microstructure evolution with high fidelity, but their accessible system sizes remain far below those required for…

Numerical Analysis · Mathematics 2026-05-26 Aagashram Neelakandan , Karsten Albe , Bernhard Eidel

The Coupled Cluster (CC) method is used to compute the electronic correlation energy in atoms and molecules and often leads to highly accurate results. However, due to its single-reference nature, standard CC in its projected form fails to…

We present a comprehensive error analysis of two prototypical atomistic-to-continuum coupling methods of blending type: the energy-based and the force-based quasicontinuum methods. Our results are valid in two and three dimensions, for…

Numerical Analysis · Mathematics 2014-04-22 Xingjie Helen Li , Christoph Ortner , Alexander V. Shapeev , Brian Van Koten

We present the quantum-selected configuration interaction-tailored coupled-cluster (QSCI-TCC) method, a hybrid quantum-classical scheme that tailors coupled-cluster (CC) theory with a quantum-selected configuration interaction (QSCI) wave…

Chemical Physics · Physics 2025-06-23 Luca Erhart , Yuichiro Yoshida , Wataru Mizukami

We propose a new scalable platform for quantum computing (QC) -- an array of optically trapped symmetric-top molecules (STMs) of the alkaline earth monomethoxide (MOCH$_3$) family. Individual STMs form qubits, and the system is readily…

Atomic Physics · Physics 2019-10-01 Phelan Yu , Lawrence W. Cheuk , Ivan Kozyryev , John M. Doyle

Stochastic computing (SC) is an emerging computing technique that promises high density, low power, and error tolerant solutions. In SC, values are encoded as unary bitstreams and SC arithmetic circuits operate on one or more bitstreams. In…

Signal Processing · Electrical Eng. & Systems 2018-03-14 Vincent T. Lee , Armin Alaghi , Luis Ceze

With rapid integration of power sources with uncertainty, robustness must be carefully considered in the transmission constrained unit commitment (TCUC) problem. The overall computational complexity of the robust TCUC methods is closely…

Optimization and Control · Mathematics 2018-10-16 Xuan Li , Qiaozhu Zhai , Xiaohong Guan

The Quantum Charge-Coupled Device (QCCD) architecture is a modular design to expand trapped-ion quantum computer that relies on the coherent shuttling of qubits across an array of segmented electrodes. Leveraging trapped ions for their long…

Quantum Physics · Physics 2025-05-05 Chenghong Zhu , Xian Wu , Jingbo Wang , Xin Wang

Linearized Coupled Cluster Doubles (LinCCD) often provides near-singular energies in small-gap systems that exhibit static correlation. This has been attributed to the lack of quadratic $T_2^2$ terms that typically balance out small energy…

Chemical Physics · Physics 2025-05-13 Kevin Carter-Fenk

Lattice systems and discrete networks with dissipative interactions are successfully employed as meso-scale models of heterogeneous solids. As the application scale generally is much larger than that of the discrete links, physically…

Computational Physics · Physics 2016-11-21 Ondřej Rokoš , Lars A. A. Beex , Jan Zeman , Ron H. J. Peerlings

Finding a systematic expansion of the spectrum of free superstrings on AdS${}_5\times $S${}^5$, or equivalently strongly coupled N = 4 SYM in the planar limit, remains an outstanding challenge. No first principle string theory methods are…

High Energy Physics - Theory · Physics 2024-06-07 Simon Ekhammar , Nikolay Gromov , Paul Ryan

Chain-of-thought (CoT) has emerged as a critical mechanism for enhancing reasoning capabilities in large language models (LLMs), with self-consistency demonstrating notable promise in boosting performance. However, inherent linguistic…

Computation and Language · Computer Science 2025-04-03 Zhiwei Yu , Tuo Li , Changhong Wang , Hui Chen , Lang Zhou

In quantum chemistry, one of the most important challenges is the static correlation problem when solving the electronic Schr\"odinger equation for molecules in the Born--Oppenheimer approximation. In this article, we analyze the tailored…

Numerical Analysis · Mathematics 2019-11-21 Fabian M. Faulstich , Andre Laestadius , Örs Legeza , Reinhold Schneider , Simen Kvaal

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…

Data Structures and Algorithms · Computer Science 2021-06-17 Vincent Cohen-Addad , Silvio Lattanzi , Slobodan Mitrović , Ashkan Norouzi-Fard , Nikos Parotsidis , Jakub Tarnawski