相关论文: Accurate estimation of interface phase diagram fro…

We extend the nested sampling algorithm to simulate materials under periodic boundary and constant pressure conditions, and show how it can be used to determine the complete equilibrium phase diagram, for a given potential energy function,…

In many systems, the time scales of the microscopic dynamics and macroscopic dynamics of interest are separated by many orders of magnitude. Examples abound, for instance nucleation, protein folding, and chemical reactions. For these…

Materials with nanoscale phase separation are considered. These materials are formed by a mixture of several phases, so that inside one phase there exist nanosize inclusions of other phases, with random shapes and random spatial locations.…

Molecular quantum magnets adsorbed on surfaces exhibit rich spin and orbital excitations that can be probed by scanning tunneling microscopy with inelastic electron tunneling spectroscopy (STM-IETS). However, the quantitative extraction of…

Generating intelligent robot behavior in contact-rich settings is a research problem where zeroth-order methods currently prevail. Developing methods that make use of first/second order information about rigid-body dynamics in the presence…

We demonstrate the possibility of using time-space crystalline structures to simulate eight-dimensional systems based on only two physical dimensions. A suitable choice of system parameters allows us to obtain a gapped energy spectrum,…

Time-variant systems have recently garnered considerable attention due to their unique potentials in manipulating electromagnetic waves. Here, a novel class of topological spacetime crystals is introduced, with a traveling-wave modulation…

X-ray near field holography has proven to be a powerful 2D and 3D imaging technique with applications ranging from biomedical research to material sciences. To reconstruct meaningful and quantitative images from the measurement intensities,…

We provide a new paradigm for quantum simulation that is based on path integration that allows quantum speedups to be observed for problems that are more naturally expressed using the path integral formalism rather than the conventional…

We propose an efficient procedure for determining phase diagrams of systems that are described by spin models. It consists of combining cluster algorithms with the method proposed by Sauerwein and de Oliveira where the grand canonical…

Over the last century, a large number of physical and mathematical developments paired with rapidly advancing technology have allowed the field of quantum chemistry to advance dramatically. However, the lack of computationally efficient…

High-harmonics generation spectroscopy is a promising tool for resolving electron dynamics and structure in atomic and molecular systems. This scheme, commonly described by the strong field approximation, requires a deep insight into the…

Phase-field methods offer a versatile computational framework for simulating large-scale morphological evolution. However, the applicability and predictability of phase-field models are inherently limited by their ad hoc nature, and there…

The identification of parameters in the Hamiltonian that describes complex many-body quantum systems is generally a very hard task. Recent attention has focused on such problems of Hamiltonian tomography for networks constructed with…

We describe a simple quantum algorithm to simulate time-dependent Hamiltonian, extending the methodology of quantum signal processing. The framework achieves optimal scaling up to some factor with respect to other parameters, and nearly…

In this work, we analyse the properties of the Maupertuis' action as a tool to reveal the phase space structure for Hamiltonian systems. We construct a scalar field with the action's values along the trajectories in the phase space. The…

Non-Hermitian systems give rise to distinct topological phenomena, yet their manifestations at temporal interfaces characterized by abrupt changes in system parameters remain largely unex plored. Upon an abrupt alteration of the Hamiltonian…

With the fast development of quantum technology, the sizes of both digital and analog quantum systems increase drastically. In order to have better control and understanding of the quantum hardware, an important task is to characterize the…

We show that it is possible to uniquely reconstruct a generic many-body local Hamiltonian from a single pair of initial and final states related by time evolution with the Hamiltonian. We then propose a practical version of the protocol…

We address an inverse problem in modeling holographic superconductors. We focus our research on the critical temperature behavior depicted by experiments. We use a physics-informed neural network method to find a mass function $M(F^2)$,…