Related papers: Calculating the Thermal Rate Constant with Exponen…
An outstanding problem in quantum computing is the calculation of entanglement, for which no closed-form algorithm exists. Here we solve that problem, and demonstrate the utility of a quantum neural computer, by showing, in simulation, that…
The problem of simulating the thermal behavior of quantum systems remains a central open challenge in quantum computing. Unlike well-established quantum algorithms for unitary dynamics, \emph{provably efficient} algorithms for preparing…
The development of novel quantum many-body computational algorithms relies on robust benchmarking. However, generating such benchmarks is often hindered by the massive computational resources required for exact diagonalization or quantum…
The calculation time for the energy of atoms and molecules scales exponentially with system size on a classical computer but polynomially using quantum algorithms. We demonstrate that such algorithms can be applied to problems of chemical…
Intermolecular hydrogen transfer free radical reactions are common in the combustion process and in a number of organic chemistry reactions. Therefore, evaluating the pressure and temperature-dependent rate constants of them is of great…
We present our recent studies on thermal field theories using quantum algorithms. We first delve into the representation of quantum fields via qubits on general digital quantum computers alongside the quantum algorithms employed to evaluate…
Significant progress in the development of efficient and fast algorithms for quantum chemical calculations has been made in the past two decades. The main focus has always been the desire to be able to treat ever larger molecules or…
We show how a quantum computer can be employed to elucidate reaction mechanisms in complex chemical systems, using the open problem of biological nitrogen fixation in nitrogenase as an example. We discuss how quantum computers can augment…
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 computers have the potential of solving certain problems exponentially faster than classical computers. Recently, Harrow, Hassidim and Lloyd proposed a quantum algorithm for solving linear systems of equations: given an $N\times{N}$…
A quantum algorithm is developed to calculate decay rates and cross sections using quantum resources that scale polynomially in the system size assuming similar scaling for state preparation and time evolution. This is done by computing…
We develop a physics-based model for classical computation based on autonomous quantum thermal machines. These machines consist of few interacting quantum bits (qubits) connected to several environments at different temperatures. Heat flows…
We consider a thermodynamic machine in which the working fluid is a quantized harmonic oscillator that is controlled on timescales that are much faster than the oscillator period. We find that operation in this `fast' regime allows access…
The well-known increase of the decoherence rate with the temperature, for a quantum system coupled to a linear thermal bath, holds no longer for a different bath dynamics. This is shown by means of a simple classical non-linear bath, as…
We propose the use of a quantum thermal machine for low-temperature thermometry. A hot thermal reservoir coupled to the machine allows for simultaneously cooling the sample while determining its temperature without knowing the…
Characterizing quantum phases-of-matter at finite-temperature is essential for understanding complex materials and large-scale thermodynamic phenomena. Here, we develop algorithmic protocols for simulating quantum thermodynamics on quantum…
Quantum thermodynamics aims at extending standard thermodynamics and non-equilibrium statistical physics to systems with sizes well below the thermodynamic limit. A rapidly evolving research field, which promises to change our understanding…
Modern potential energy surfaces have shifted attention to molecular simulations of chemical reactions. While various methods can estimate rate constants for conformational transitions in molecular dynamics simulations, their applicability…
Solving finite-temperature properties of quantum many-body systems is generally challenging to classical computers due to their high computational complexities. In this article, we present experiments to demonstrate a hybrid…
In classical computation, a problem can be solved in multiple steps where calculated results of each step can be copied and used repeatedly. While in quantum computation, it is difficult to realize a similar multi-step computation process…