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Small and wide angle x-ray scattering tensor tomography are powerful methods for studying anisotropic nanostructures in a volume-resolved manner, and are becoming increasingly available to users of synchrotron facilities. The analysis of…

Materials Science · Physics 2025-04-24 Leonard C. Nielsen , Mads Carlsen , Sici Wang , Arthur Baroni , Torne Tänzer , Marianne Liebi , Paul Erhart

The non-perturbative {\it ab initio} calculations of infinite nuclear matter using In-Medium Similarity Renormalization Group (IMSRG) method is developed in this work, which enables calculations with chiral two and three-nucleon forces at…

Nuclear Theory · Physics 2025-02-27 Xin Zhen , Rongzhe Hu , Haoyu Shang , Jiawei Chen , Junchen Pei , Furong Xu

We develop an open-source python workflow package, $py$GWBSE to perform automated first-principles calculations within the GW-BSE (Bethe-Salpeter) framework. GW-BSE is a many body perturbation theory based approach to explore the…

Materials Science · Physics 2022-10-06 Tathagata Biswas , Arunima K. Singh

In this work we present the formal background used to develop the methods used in earlier works to extend the truncated Wigner representation of quantum and atom optics in order to address multi-time problems. The truncated Wigner…

Quantum Physics · Physics 2015-06-16 L I Plimak , M K Olsen

We review recent advances in the capabilities of the open source ab initio Quantum Monte Carlo (QMC) package QMCPACK and the workflow tool Nexus used for greater efficiency and reproducibility. The auxiliary field QMC (AFQMC) implementation…

In the present paper by using Mathematica system a symbolic programming method for generation of the expressions of the expansion terms of atomic stationary perturbation theory (PT) is presented. For this purpose, the package named as…

Atomic Physics · Physics 2010-04-30 Rytis Jursenas , Gintaras Merkelis

NISQ devices have several physical limitations and unavoidable noisy quantum operations, and only small circuits can be executed on a quantum machine to get reliable results. This leads to the quantum hardware under-utilization issue. Here,…

Hardware Architecture · Computer Science 2023-02-22 Siyuan Niu , Aida Todri-Sanial

In the pursuit of achieving near-term quantum advantage for combinatorial optimization problems, the Quantum Approximate Optimization Algorithm (QAOA) and the Variational Quantum Eigensolver (VQE) are the primary methods of interest, but…

Quantum Physics · Physics 2025-03-06 Adelina Bärligea , Benedikt Poggel , Jeanette Miriam Lorenz

A C# package is presented that allows a user for an input quantum circuit to generate a set of multivariate polynomials over the finite field Z_2 whose total number of solutions in Z_2 determines the output of the quantum computation…

Quantum Physics · Physics 2009-11-11 Vladimir P. Gerdt , Vasily M. Severyanov

We provide in this work a form of Modular Quantum Signal Processing that we call iterated quantum signal processing. This method recursively applies quantum signal processing to the outputs of other quantum signal processing steps, allowing…

Quantum Physics · Physics 2024-08-07 Niladri Gomes , Hokiat Lim , Nathan Wiebe

Quantum annealers can solve QUBO problems efficiently but struggle with continuous optimization tasks like regression due to their discrete nature. We introduce Quadratic Continuous Quantum Optimization (QCQO), an anytime algorithm that…

Quantum Physics · Physics 2026-01-01 Sascha Mücke , Thore Gerlach , Nico Piatkowski

High order perturbation theory has seen an unexpected recent revival for controlled calculations of quantum many-body systems, even at strong coupling. We adapt integration methods using low-discrepancy sequences to this problem. They…

Strongly Correlated Electrons · Physics 2020-08-27 Marjan Maček , Philipp T. Dumitrescu , Corentin Bertrand , Bill Triggs , Olivier Parcollet , Xavier Waintal

We introduce an algebra qCCS of pure quantum processes in which no classical data is involved, communications by moving quantum states physically are allowed, and computations is modeled by super-operators. An operational semantics of qCCS…

Quantum Physics · Physics 2010-09-08 Mingsheng Ying , Yuan Feng , Runyao Duan , Zhengfeng Ji

We present an open-source computer program written in Python language for quantum measurement and related issues. In our program, quantum states and operators, including quantum gates, can be developed into a quantum-object function…

Quantum Physics · Physics 2021-03-17 Le Bin Ho , Kieu Quang Tuan , Hung Q. Nguyen

eQuilibrator (equilibrator.weizmann.ac.il) is a calculator for biochemical equilibrium constants and Gibbs free energies, originally designed as a web-based interface. While the website now counts ${\sim}1000$ distinct monthly users, its…

Molecular Networks · Quantitative Biology 2021-03-02 Moritz E. Beber , Mattia G. Gollub , Dana Mozaffari , Kevin M. Shebek , Elad Noor

It has become increasingly feasible to use quantum Monte Carlo (QMC) methods to study correlated fermion systems for realistic Hamiltonians. We give a summary of these techniques targeted at researchers in the field of correlated electrons,…

Strongly Correlated Electrons · Physics 2016-08-24 Lucas K. Wagner , David M. Ceperley

Quantum neuromorphic computing (QNC) is a sub-field of quantum machine learning (QML) that capitalizes on inherent system dynamics. As a result, QNC can run on contemporary, noisy quantum hardware and is poised to realize challenging…

Quantum Physics · Physics 2024-02-22 Rodrigo Araiza Bravo , Khadijeh Najafi , Taylor L. Patti , Xun Gao , Susanne F. Yelin

Quantum many-body (QMB) systems are generally computationally hard: the computing resources necessary to simulate them exactly can often exceed the existing computation resources by orders of magnitude. For this reason, Richard Feynman…

Quantum computing is developing fast. Real world applications are within reach in the coming years. One of the most promising areas is combinatorial optimisation, where the Quadratic Unconstrained Binary Optimisation (QUBO) problem…

Quantum Physics · Physics 2020-07-06 Frank Phillipson , Irina Chiscop

Case-Based Reasoning (CBR) is an artificial intelligence approach to problem-solving with a good record of success. This article proposes using Quantum Computing to improve some of the key processes of CBR, such that a Quantum Case-Based…

Artificial Intelligence · Computer Science 2022-01-12 Parfait Atchade-Adelomou , Daniel Casado-Fauli , Elisabet Golobardes-Ribe , Xavier Vilasis-Cardona