English
Related papers

Related papers: Automated Quantum Chemistry Code Generation with t…

200 papers

Quantum AI is an emerging field that uses quantum computing to solve typical complex problems in AI. In this work, we propose BILP-Q, the first-ever general quantum approach for solving the Coalition Structure Generation problem (CSGP),…

Quantum Physics · Physics 2022-05-12 Supreeth Mysore Venkatesh , Antonio Macaluso , Matthias Klusch

It is now clear that the use of resilient encoding schemes will be required for any quantum computing device to be realised. However, quantum programmers of the future will not wish to be tied up in the particulars of such encoding schemes.…

Quantum Physics · Physics 2012-10-03 James Barratt

Quantum error correcting codes (QECC) is becoming an increasingly important branch of coding theory. For classical block codes, a \href{codetables.de} {comprehensive database of best known codes} exists which is available online at…

Information Theory · Computer Science 2021-08-21 Nuh Aydin , Peihan Liu , Bryan Yoshino

The fundamental problem faced in quantum chemistry is the calculation of molecular properties, which are of practical importance in fields ranging from materials science to biochemistry. Within chemical precision, the total energy of a…

A new method for quantum computation in the presence of detected spontaneous emission is proposed. The method combines strong and fast (dynamical decoupling) pulses and a quantum error correcting code that encodes $n$ logical qubits into…

Quantum Physics · Physics 2009-11-10 K. Khodjasteh , D. A. Lidar

Many quantum algorithms rely on a quality initial state for optimal performance. Preparing an initial state for specific applications can considerably reduce the cost of probabilistic algorithms such as the well studied quantum phase…

Quantum Physics · Physics 2024-12-10 Alexandre Fleury , James Brown , Erika Lloyd , Maritza Hernandez , Isaac H. Kim

Simulation is essential for developing quantum hardware and algorithms. However, simulating quantum circuits on classical hardware is challenging due to the exponential scaling of quantum state space. While factorized tensors can greatly…

Quantum Physics · Physics 2021-12-21 Taylor L. Patti , Jean Kossaifi , Susanne F. Yelin , Anima Anandkumar

qPCF is a paradigmatic quantum programming language that ex- tends PCF with quantum circuits and a quantum co-processor. Quantum circuits are treated as classical data that can be duplicated and manipulated in flexible ways by means of a…

Logic in Computer Science · Computer Science 2018-09-18 Luca Paolini , Mauro Piccolo , Margherita Zorzi

Shallow, CNOT-efficient quantum circuits are crucial for performing accurate computational chemistry simulations on current noisy quantum hardware. Here, we explore the usefulness of non-iterative energy corrections, based on the method of…

Chemical Physics · Physics 2023-05-03 Ilias Magoulas , Francesco A. Evangelista

In this work we investigate methods to improve the efficiency and scalability of quantum algorithms for quantum chemistry applications. We propose a transformation of the electronic structure Hamiltonian in the second quantization framework…

Quantum computing faces a key challenge: balancing the need for low circuit depth (crucial for fault tolerance) with the high accuracy required for complex computations like quantum chemistry and error correction, which typically require…

Quantum Physics · Physics 2025-11-21 Ioana Moflic , Alexandru Paler , Akash Kundu

We apply numerical optimization and linear algebra algorithms for classical computers to the problem of automatically synthesizing algorithms for quantum computers. Using our framework, we apply several common techniques from these…

Numerical Analysis · Mathematics 2025-09-16 Yuxin Huang , Benjamin E. Grossman-Ponemon , David A. B. Hyde

It is becoming increasingly clear that, if a useful device for quantum computation will ever be built, it will be embodied by a classical computing machine with control over a truly quantum subsystem, this apparatus performing a mixture of…

Programming Languages · Computer Science 2009-11-07 S. Bettelli , L. Serafini , T. Calarco

Developers of Molecular Dynamics (MD) codes face significant challenges when adapting existing simulation packages to new hardware. In a continuously diversifying hardware landscape it becomes increasingly difficult for scientists to be…

Distributed, Parallel, and Cluster Computing · Computer Science 2018-03-14 William R. Saunders , James Grant , Eike H. Müller

High-energy physics data analysis relies heavily on the comparison between experimental and simulated data as stressed lately by the Higgs search at LHC and the recent identification of a Higgs-like new boson. The first link in the full…

High Energy Physics - Experiment · Physics 2015-06-12 Denis Perret-Gallix

The computational power increases over the past decades havegreatly enhanced the ability to simulate chemical reactions andunderstand ever more complex transformations. Tensor contractions are the fundamental computational building block of…

Mathematical Software · Computer Science 2022-01-02 Erdal Mutlu , Ruiqin Tian , Bin Ren , Sriram Krishnamoorthy , Roberto Gioiosa , Jacques Pienaar , Gokcen Kestor

In many practical applications, quantum algorithms require several qubits, significantly more than those available with current noisy intermediate-scale quantum processors. Distributed quantum computing (DQC) is considered a scalable…

Quantum Physics · Physics 2026-03-02 Michele Bandini , Davide Ferrari , Stefano Carretta , Michele Amoretti

Quantum multi-programming is a method utilizing contemporary noisy intermediate-scale quantum computers by executing multiple quantum circuits concurrently. Despite early research on it, the research remains on quantum gates or small-size…

Quantum Physics · Physics 2023-08-09 Gilchan Park , Kun Zhang , Kwangmin Yu , Vladimir Korepin

The quantum computation of electronic energies can break the curse of dimensionality that plagues many-particle quantum mechanics. It is for this reason that a universal quantum computer has the potential to fundamentally change…

Quantum reservoir computing (QRC) is a hardware-implementation-friendly quantum neural network scheme with minimal physical system requirements and a proven advantage over classical counterparts. We use an extension of the positive-P phase…

Quantum Physics · Physics 2026-03-19 S. Świerczewski , W. Verstraelen , P. Deuar , T. C. H. Liew , A. Opala , M. Matuszewski