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Quantum cooling, a deterministic process that drives any state to the lowest eigenstate, has been widely used from studying ground state properties of chemistry and condensed matter quantum physics, to general optimization problems.…

Quantum Physics · Physics 2022-06-06 Pei Zeng , Jinzhao Sun , Xiao Yuan

We propose a hybrid quantum-classical algorithm for approximating the ground state and ground state energy of a Hamiltonian. Once the Ansatz has been decided, the quantum part of the algorithm involves the calculation of two overlap…

Quantum Physics · Physics 2020-10-13 Kishor Bharti

We present an ongoing development of an existing code for calculating ground-state, steady-state, and transient properties of many-particle systems. The development involves the addition of the full four-index two electron integrals, which…

Mesoscale and Nanoscale Physics · Physics 2016-05-04 Richard A. Lynn , Robert van Leeuwen

It is known that quantum computers, if available, would allow an exponential decrease in the computational cost of quantum simulations. We extend this result to show that the computation of molecular properties (energy derivatives) could…

Quantum Physics · Physics 2011-03-23 Ivan Kassal , Alán Aspuru-Guzik

We propose a fast and versatile algorithm to calculate local and transport properties such as conductance, shot noise, local density of state or local currents in mesoscopic quantum systems. Within the non equilibrium Green function…

Mesoscale and Nanoscale Physics · Physics 2008-03-18 Kyryl Kazymyrenko , Xavier Waintal

We present the first demonstration of an end-to-end pipeline with quantum error correction (QEC) for a quantum computation of the electronic structure of molecular systems. We calculate the ground-state energy of molecular hydrogen, using…

Machine learning has emerged recently as a powerful tool for predicting properties of quantum many-body systems. For many ground states of gapped Hamiltonians, generative models can learn from measurements of a single quantum state to…

Quantum Physics · Physics 2024-03-05 Haoxiang Wang , Maurice Weber , Josh Izaac , Cedric Yen-Yu Lin

We present a technique for enhancing the estimation of quantum state properties by incorporating approximate prior knowledge about the quantum state of interest. This method involves performing randomized measurements on a quantum processor…

We estimate the resource requirements, the total number of physical qubits and computational time, required to compute the ground state energy of a 1-D quantum Transverse Ising Model (TIM) of N spin-1/2 particles, as a function of the…

Quantum Physics · Physics 2009-09-08 Craig R. Clark , Kenneth R. Brown , Tzvetan S. Metodi , Samuel D. Gasster

Quantum computing offers potential solutions for finding ground states in condensed-matter physics and chemistry. However, achieving effective ground state preparation is also computationally hard for arbitrary Hamiltonians. It is necessary…

We estimate the resources required to prepare the ground state of a quantum many-body system on a quantum computer of intermediate size. This estimate is made possible using a combination of quantum many-body methods and analytic upper…

Quantum Physics · Physics 2021-05-19 Jessica Lemieux , Guillaume Duclos-Cianci , David Sénéchal , David Poulin

Computing the ground-state properties of quantum many-body systems is a promising application of near-term quantum hardware with a potential impact in many fields. The conventional algorithm quantum phase estimation uses deep circuits and…

Quantum Physics · Physics 2023-02-14 Mingxia Huo , Ying Li

Quantum phase estimation is the workhorse behind any quantum algorithm and a promising method for determining ground state energies of strongly correlated quantum systems. Low-cost quantum phase estimation techniques make use of circuits…

Quantum Physics · Physics 2019-03-27 T. E. O'Brien , B. Tarasinski , B. M. Terhal

Calculating the molecular ground-state energy is a central challenge in computational chemistry. Conventional methods such as the Complete Active Space Configuration Interaction scale exponentially with molecular size, limiting their…

Quantum Physics · Physics 2025-12-15 Stefano Bruni , Enrico Prati

In order to achieve fault-tolerant quantum computation, we need to repeat the following sequence of four steps: First, perform 1 or 2 qubit quantum gates (in parallel if possible). Second, do a syndrome measurement on a subset of the…

Quantum Physics · Physics 2024-12-11 Harry Buhrman , Marten Folkertsma , Bruno Loff , Niels M. P. Neumann

The accurate computation of Hamiltonian ground, excited, and thermal states on quantum computers stands to impact many problems in the physical and computer sciences, from quantum simulation to machine learning. Given the challenges posed…

We present calculations of the ground and excited state energies of spin defects in solids carried out on a quantum computer, using a hybrid classical/quantum protocol. We focus on the negatively charged nitrogen vacancy center in diamond…

Quantum Physics · Physics 2025-07-01 Benchen Huang , Marco Govoni , Giulia Galli

Quantum computers have the potential to simulate chemical systems beyond the capability of classical computers. Recent developments in hybrid quantum-classical approaches enable the determinations of the ground or low energy states of…

Quantum Physics · Physics 2021-12-06 Chee-Kong Lee , Jonathan Wei Zhong Lau , Liang Shi , Leong Chuan Kwek

We present an algorithm to compute Green's functions on quantum computers for interacting electron systems, which is a challenging task on conventional computers. It uses a continued fraction representation based on the Lanczos method,…

Quantum Physics · Physics 2022-12-07 Francois Jamet , Abhishek Agarwal , Ivan Rungger

Accurately predicting response properties of molecules such as the dynamic polarizability and hyperpolarizability using quantum mechanics has been a long-standing challenge with widespread applications in material and drug design. Classical…

Chemical Physics · Physics 2020-09-01 Xiaoxia Cai , Wei-Hai Fang , Heng Fan , Zhendong Li