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We report on the development of a modular platform for programmable quantum simulation with atomic quantum gases. The platform is centered around exchangeable optical modules with versatile functionalities. The performance of each module is…

For the one-dimensional Hubbard model subject to periodic boundary conditions we construct a unitary transformation between basis states so that open boundary conditions apply for the transformed Hamiltonian. Despite the fact that the…

Strongly Correlated Electrons · Physics 2009-11-11 Örs Legeza , Florian Gebhard , Jörg Rissler

Density matrix embedding theory (DMET) is a quantum embedding theory for strongly correlated systems. From a computational perspective, one bottleneck in DMET is the optimization of the correlation potential to achieve self-consistency,…

Chemical Physics · Physics 2019-09-04 Xiaojie Wu , Zhi-Hao Cui , Yu Tong , Michael Lindsey , Garnet Kin-Lic Chan , Lin Lin

We developed a general framework for hybrid quantum-classical computing of molecular and periodic embedding approaches based on an orbital space separation of the fragment and environment degrees of freedom. We demonstrate its potential by…

Chemical Physics · Physics 2024-12-23 Stefano Battaglia , Max Rossmannek , Vladimir V. Rybkin , Ivano Tavernelli , Jürg Hutter

We present a molecular extension of our recently proposed Green's function embedding method, interacting-bath dynamical embedding theory (ibDET), for computing charged excitation energies at the $GW$ and EOM-CCSD levels. Starting from…

Chemical Physics · Physics 2026-04-06 Christian Venturella , Jiachen Li , Tianyu Zhu

Block encoding is a key ingredient in the recently developed quantum singular value transformation (QSVT) framework, which provides a unifying description for many quantum algorithms. Initially introduced to simplify and optimize resource…

Quantum Physics · Physics 2025-04-01 Nhat A. Nghiem , Tzu-Chieh Wei

Quantum embedding theories are powerful tools for approximately solving large-scale strongly correlated quantum many-body problems. The main idea of quantum embedding is to glue together a highly accurate quantum theory at the local scale…

Computational Physics · Physics 2020-01-23 Lin Lin , Michael Lindsey

Molecular vibrations in solutions, especially OH stretching and bending in water, drive ultrafast energy relaxation and dephasing in chemical and biological systems. We present a machine learning approach for constructing system-bath models…

Chemical Physics · Physics 2026-03-18 Kwanghee Park , Ju-Yeon Jo , Yoshitaka Tanimura

Computing the exact dynamics of many-body quantum systems becomes intractable as system size grows. Here, we present a symmetry-based method that provides an exponential reduction in the complexity of a broad class of such problems…

With the abundance of data in recent years, interesting challenges are posed in the area of recommender systems. Producing high quality recommendations with scalability and performance is the need of the hour. Singular Value…

Machine Learning · Computer Science 2019-07-19 Prasad Bhavana , Vikas Kumar , Vineet Padmanabhan

We present a new approach to calculate real-time quantum dynamics in complex systems. The formalism is based on the partitioning of a system's environment into "core" and "reservoir" modes, with the former to be treated quantum mechanically…

Statistical Mechanics · Physics 2015-05-30 Timothy C. Berkelbach , David R. Reichman , Thomas E. Markland

We give an algorithm that converts any tensor network (TN) into a sequence of local unitaries whose composition block-encodes the network contraction, suitable for Quantum Eigenvalue / Singular Value Transformation (QET/QSVT). The…

Quantum Physics · Physics 2026-01-13 Sebastian Issel

The previously proposed ansatz for density cumulant theory that combines orbital-optimization and a parameterization of the 2-electron reduced density matrix cumulant in terms of unitary coupled cluster amplitudes (OUDCT) is carefully…

Chemical Physics · Physics 2020-12-23 Jonathon P. Misiewicz , Justin M. Turney , Henry F. Schaefer , Alexander Yu. Sokolov

Recently, Transformer-based methods have achieved impressive results in single image super-resolution (SISR). However, the lack of locality mechanism and high complexity limit their application in the field of super-resolution (SR). To…

Computer Vision and Pattern Recognition · Computer Science 2023-06-21 Ling Zheng , Jinchen Zhu , Jinpeng Shi , Shizhuang Weng

Using the tool of unitary transformations of the extended receiver we perform simple operations with the non-diagonal elements of the initial sender's density matrix after their transferring to the receiver. These operations are following:…

Quantum Physics · Physics 2020-05-06 A. I. Zenchuk

Achieving high-precision light manipulation is crucial for delivering information through complex media with high fidelity. However, existing spatial light modulation devices face a fundamental tradeoff between speed and accuracy. Digital…

Optics · Physics 2026-03-16 Li-Yu Yu , Sixian You

Construction of hybrid atomic orbitals is proposed as the approximate common eigen states of finite first moment matrices. Their hybridization and orientation can be a-priori tunned as per their anticipated neighbourhood. Their Wannier…

Materials Science · Physics 2021-09-15 Manoar Hossain , Joydev De , Joydeep Bhattacharjee

We develop variational continuous unitary transformations (VCUTs), which integrate Wegner-Wilson flow equations with tensor network techniques to approximately diagonalize many-body localized (MBL) Hamiltonians. The diagonalizing unitary is…

Disordered Systems and Neural Networks · Physics 2026-03-16 Qiyu Liu , Jan-Niklas Herre , Dante M. Kennes , Christoph Karrasch

We present an embedding approach for semiconductors and insulators based on or- bital rotations in the space of occupied Kohn-Sham orbitals. We have implemented our approach in the popular VASP software package. We demonstrate its power for…

Materials Science · Physics 2017-07-21 F. Libisch , M. Marsman , J. Burgdörfer , G. Kresse

We investigate a decomposition of a unital Lindblad dynamical map of an open quantum system into two distinct types of mapping on the Hilbert-Schmidt space of quantum states. One component of the decomposed map corresponds to reversible…

Quantum Physics · Physics 2019-02-18 Fattah Sakuldee , Sujin Suwanna