相关论文: Path-integral virial estimator for reaction rate c…
A precise characterization of structures occurring in turbulent fluid flows at high Reynolds numbers is one of the last open problems of classical physics. In this review we discuss recent developments related to the application of…
Driven-dissipative nonlinear systems exhibit rich critical behavior, related to bifurcation, bistability and switching, which underlie key phenomena in areas ranging from physics, chemistry and biology to social sciences and economics. The…
Numerical and anaytical studies of the instanton liquid model have allowed the determination of many hadronic parameters during the last 13 years. Most part of this thesis is devoted to the extension of the analytical methods. The meson…
Iterative phase estimation has long been used in quantum computing to estimate Hamiltonian eigenvalues. This is done by applying many repetitions of the same fundamental simulation circuit to an initial state, and using statistical…
We use the two time influence functional method of the path integral approach in order to reduce the dimension of the coupled-channels equations for heavy-ion reactions based on the no-Coriolis approximation. Our method is superior to other…
The leading-twist valence-quark distribution function in the pion is obtained at a low normalization scale of an order of the inverse average size of an instanton $\rho_c$. The momentum dependent quark mass and the quark-pion vertex are…
We give an introduction to the calculation of path integrals on a lattice, with the quantum harmonic oscillator as an example. In addition to providing an explicit computational setup and corresponding pseudocode, we pay particular…
The problem of a massive elastic string depinning from a linear defect under the action of a small driving force is considered. To exponential accuracy the decay rate is calculated with the help of the instanton method; then, fluctuations…
We present a methodology for accelerating the estimation of the free energy from path integral Monte Carlo simulations by considering an intermediate artificial reference system where interactions are inexpensive to evaluate numerically.…
Quantum Phase Estimation (QPE) stands as a pivotal quantum computing subroutine that necessitates an inverse Quantum Fourier Transform (QFT). However, it is imperative to recognize that enhancing the precision of the estimation inevitably…
In the present work we introduce a computational approach to the absolute rovibrational quantum partition function using the path-integral formalism of quantum mechanics in combination with the nested sampling technique. The numerical…
Quantile regression is a method to estimate the quantiles of the conditional distribution of a response variable, and as such it permits a much more accurate portrayal of the relationship between the response variable and observed…
Quantum chemistry calculations such as the prediction of molecular properties and modeling of chemical reactions are a few of the critical areas where near-term quantum computers can showcase quantum advantage. We present a method to…
We investigate the optimal rate of convergence in the multidimensional normal approximation of vector-valued Wiener-Ito integrals of which components all belong to the same fixed Wiener chaos. Combining Malliavin calculus, Stein's method…
Ordinary differential equations are widely-used in the field of systems biology and chemical engineering to model chemical reaction networks. Numerous techniques have been developed to estimate parameters like rate constants, initial…
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…
In molecular dynamics, transport coefficients measure the sensitivity of the invariant probability measure of the stochastic dynamics at hand with respect to some perturbation. They are typically computed using either the linear response of…
We propose a method for constructing $\texttt{PREPARE}$ circuits for quantum phase estimation of a molecular Hamiltonian in quantum chemistry by using variational optimization of quantum circuits solely on classical computers. The…
By design, the variational quantum eigensolver (VQE) strives to recover the lowest-energy eigenvalue of a given Hamiltonian by preparing quantum states guided by the variational principle. In practice, the prepared quantum state is…
We consider in detail how the quantum-mechanical tunneling phenomenon occurs in a well-behaved octic potential. Our main tool will be the euclidean propagator just evaluated between two minima of the potential at issue. For such a purpose…