Related papers: Benchmarking an improved statistical adiabatic cha…
Quantum computers attract much attention as they promise to outperform their classical counterparts in solving certain type of problems. One of them with practical applications in quantum chemistry is simulation of complex quantum systems.…
Statistical mechanics provides an effective framework to investigate information processing in biochemical reactions. Within such framework far-reaching analogies are established among (anti-) cooperative collective behaviors in chemical…
We present in this paper the main structural features and enthalpy details for the energy profiles of the title reactions, both for the exothermic (forward) path to NH$_{3}$ formation and for the endothermic (reverse) reaction to…
Adiabatic processes in the quantum Ising model and the anisotropic Heisenberg model are discussed. The adiabatic processes are assumed to consist in the slow variation of the strength of the magnetic field that environs the spin-systems.…
We present a quantum algorithm for adiabatic state preparation on a gate-based quantum computer, with complexity polylogarithmic in the inverse error. Our algorithm digitally simulates the adiabatic evolution between two self-adjoint…
This paper explores several aspects of the adiabatic quantum computation model. We first show a way that directly maps any arbitrary circuit in the standard quantum computing model to an adiabatic algorithm of the same depth. Specifically,…
Chemical reactions represent a class of quantum problems that challenge both the current theoretical understanding and computational capabilities. Reactions that occur at ultralow temperatures provide an ideal testing ground for quantum…
Reliable preparation of many-body ground states is an essential task in quantum computing, with applications spanning areas from chemistry and materials modeling to quantum optimization and benchmarking. A variety of approaches have been…
The viability of adiabatic quantum computation depends on the slow evolution of the Hamiltonian. The adiabatic switching theorem provides an asymptotic series for error estimates in $1/T$, based on the lowest non-zero derivative of the…
In this review we consider the performance of the quantum adiabatic algorithm for the solution of decision problems. We divide the possible failure mechanisms into two sets: small gaps due to quantum phase transitions and small gaps due to…
The H + D_2^+(v=0,1 and 2) charge transfer reaction is studied using an accurate wave packet method, using recently proposed coupled diabatic potential energy surfaces. The state-to-state cross section is obtained for three different…
We develop a statistical toolbox for a quantitative model evaluation of stochastic reaction-diffusion systems modeling space-time evolution of biophysical quantities on the intracellular level. Starting from space-time data $X_N(t,x)$, as,…
Quantum state preparation lies at the heart of quantum computation and quantum simulations, enabling the investigation of complex manybody systems across physics, chemistry, and data science. While existing methods such as Variational…
The cross section and rate constants for the title reaction are calculated for all the spin-orbit states of N$^+$($^3P_{J_A}$) using two statistical approaches, one purely adiabatic and the other one mixing quantum capture for the entrance…
We present a time dependent variational method to learn the mechanisms of equilibrium reactive processes and efficiently evaluate their rates within a transition path ensemble. This approach builds off variational path sampling methodology…
We present an efficient \textit{ab initio} algorithm for quantum dynamics simulations of interacting systems that is based on the conditional decomposition of the many-body wavefunction [Phys. Rev. Lett. 113, 083003 (2014)]. Starting with…
We present a new method for realizing the adiabatic connection approach in density functional theory, which is based on combining accurate variational quantum Monte Carlo calculations with a constrained optimization of the ground state…
Adiabatic Quantum Computing relies on the quantum adiabatic theorem, which states that a quantum system evolves along its ground state with time if the governing Hamiltonian varies infinitely slowly. However, practical limitations force…
A great many observables seen in intermediate energy heavy ion collisions can be explained on the basis of statistical equilibrium. Calculations based on statistical equilibrium can be implemented in microcanonical ensemble (energy and…
We discuss some aspects related to the so-called Hilbert space Average Method, as an alternative to describe the dynamics of open quantum systems. First we present a derivation of the method which does not make use of the algebra satisfied…