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Efficient simulation of quantum computers is essential for the development and validation of near-term quantum devices and the research on quantum algorithms. Up to date, two main approaches to simulation were in use, based on either full…

Computational Complexity · Computer Science 2020-05-06 Roman Schutski , Danil Lykov , Ivan Oseledets

Quantum computation is one of the most promising new paradigms for the simulation of physical systems composed of electrons and atomic nuclei, with applications in chemistry, solid-state physics, materials science, and molecular biology.…

Quantum Physics · Physics 2024-11-05 Jakob Günther , Alberto Baiardi , Markus Reiher , Matthias Christandl

Quantum circuit simulation is paramount to the verification and optimization of quantum algorithms, and considerable research efforts have been made towards efficient simulators. While circuits often contain high-level gates such as oracles…

Quantum Physics · Physics 2026-05-06 Adam Husted Kjelstrøm , Andreas Pavlogiannis , Jaco van de Pol

Quantum algorithms require accurate representations of electronic states on a quantum device, yet the approximation of electronic wave functions for strongly correlated systems remains a profound theoretical challenge, with existing methods…

Quantum Physics · Physics 2025-04-29 Dipanjali Halder , Dibyendu Mondal , Rahul Maitra

A key requirement to perform simulations of large quantum systems on near-term quantum hardware is the design of quantum algorithms with short circuit depth that finish within the available coherence time. A way to stay within the limits of…

A key open question in quantum computing is whether quantum algorithms can potentially offer a significant advantage over classical algorithms for tasks of practical interest. Understanding the limits of classical computing in simulating…

Quantum Physics · Physics 2021-06-23 Matija Medvidovic , Giuseppe Carleo

The process of translating a quantum algorithm into a form suitable for implementation on a quantum computing platform is crucial but yet challenging. This entails specifying quantum operations with precision, a typically intricate task. In…

Quantum Physics · Physics 2024-08-26 M. Zomorodi , H. Amini , M. Abbaszadeh , J. Sohrabi , V. Salari , P. Plawiak

The practical application of quantum technologies to chemical problems faces significant challenges, particularly in the treatment of realistic basis sets and the accurate inclusion of electron correlation effects. A direct approach to…

Quantum computing promises to solve difficult optimization problems in chemistry, physics and mathematics more efficiently than classical computers, but requires fault-tolerant quantum computers with millions of qubits. To overcome errors…

Databases · Computer Science 2021-07-23 Tobias Fankhauser , Marc E. Solèr , Rudolf M. Füchslin , Kurt Stockinger

The precise description of quantum nuclear fluctuations in atomistic modelling is possible by employing path integral techniques, which involve a considerable computational overhead due to the need of simulating multiple replicas of the…

Chemical Physics · Physics 2017-03-23 Venkat Kapil , Jörg Behler , Michele Ceriotti

Numerical simulation is an important method for verifying the quantum circuits used to simulate low-energy nuclear states. However, real-world applications of quantum computing for nuclear theory often generate deep quantum circuits that…

Quantum Physics · Physics 2024-06-06 Ang Li , Alessandro Baroni , Ionel Stetcu , Travis S. Humble

A variety of photon-mediated operations are critical to the realization of scalable quantum information processing platforms and their accurate characterization is essential for the identification of optimal regimes and their experimental…

Developing state-of-the-art classical simulators of quantum circuits is of utmost importance to test and evaluate early quantum technology and understand the true potential of full-blown error-corrected quantum computers. In the past few…

Quantum Physics · Physics 2022-01-03 Salvatore Mandrà , Jeffrey Marshall , Eleanor G. Rieffel , Rupak Biswas

Quantum computation of the energy of molecules and materials is one of the most promising applications of fault-tolerant quantum computers. Practical applications require development of quantum algorithms with reduced resource requirements.…

Quantum computational chemistry holds great promise for simulating molecular systems more efficiently than classical methods by leveraging quantum bits to represent molecular wavefunctions. However, current implementations face significant…

Quantum Physics · Physics 2025-09-10 Weitang Li , Shi-Xin Zhang , Zirui Sheng , Cunxi Gong , Jianpeng Chen , Zhigang Shuai

Quantum simulation can help us study poorly understood topics such as high-temperature superconductivity and drug design. However, existing quantum simulation algorithms for current quantum computers often have drawbacks that impede their…

Quantum Physics · Physics 2022-02-28 Kishor Bharti , Tobias Haug

It is exponentially hard to simulate quantum systems by classical algorithms, while quantum computer could in principle solve this problem polynomially. We demonstrate such an quantum-simulation algorithm on our NMR system to simulate an…

Quantum Physics · Physics 2009-07-22 Jiangfeng Du , Nanyang Xu , Xinhua Peng , Pengfei Wang , Sanfeng Wu , Dawei Lu

Accurate quantum chemistry simulations remain challenging on classical computers for problems of industrially relevant sizes and there is reason for hope that quantum computing may help push the boundaries of what is technically feasible.…

Quantum Physics · Physics 2021-03-17 Vincent E. Elfving , Marta Millaruelo , José A. Gámez , Christian Gogolin

Simulating large-scale coupled-oscillator systems presents substantial computational challenges for classical algorithms, particularly when pursuing first-principles analyses in the thermodynamic limit. Motivated by the quantum algorithm…

We describe a quantum algorithm for preparing states that encode solutions of non-homogeneous linear partial differential equations. The algorithm is a continuous-variable version of matrix inversion: it efficiently inverts differential…

Quantum Physics · Physics 2019-09-11 Juan Miguel Arrazola , Timjan Kalajdzievski , Christian Weedbrook , Seth Lloyd