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Devising a computational tool that assesses the thermodynamic stability of materials is among the most important steps required to build a ``virtual laboratory'', where materials could be designed from first-principles without relying on…

统计力学 · 物理学 2007-05-23 A. van de Walle , G. Ceder

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…

量子物理 · 物理学 2019-07-25 Ian D. Kivlichan , Christopher E. Granade , Nathan Wiebe

In this work, we initiate the study of Hamiltonian learning for positive temperature bosonic Gaussian states, the quantum generalization of the widely studied problem of learning Gaussian graphical models. We obtain efficient protocols,…

量子物理 · 物理学 2025-04-08 Marco Fanizza , Cambyse Rouzé , Daniel Stilck França

We present a scheme to controllably improve the accuracy of tight-binding Hamiltonian matrices derived by projecting the solutions of plane-wave ab initio calculations on atomic orbital basis sets. By systematically increasing the…

The sea surface temperature (SST), a key environmental parameter, is crucial to optimizing production planning, making its accurate prediction a vital research topic. However, the inherent nonlinearity of the marine dynamic system presents…

机器学习 · 计算机科学 2025-04-25 Yin Wang , Chunlin Gong , Xiang Wu , Hanleran Zhang

Hamiltonian parameter estimation is crucial in condensed matter physics, but time and cost consuming in terms of resources used. With advances in observation techniques, high-resolution images with more detailed information are obtained,…

无序系统与神经网络 · 物理学 2019-11-15 Dingchen Wang , Songrui Wei , Anran Yuan , Fanghua Tian , Kaiyan Cao , Qizhong Zhao , Dezhen Xue , Sen Yang

The evaluation of phase stabilities of unstable elemental phases is a long-standing problem in the computational assessment of phase diagrams. Here we tackle this problem by explicitly calculating phase diagrams of intermetallic systems…

材料科学 · 物理学 2016-09-20 Shmuel Barzilai , Cormac Toher , Stefano Curtarolo , Ohad Levy

We suggest a new mean field method for studying the thermodynamic competition between magnetic and superconducting phases in a two-dimensional square lattice. A partition function is constructed by writing microscopic interactions that…

超导电性 · 物理学 2009-11-13 Benoit Vanderheyden , A D Jackson

Many experimental techniques aim at determining the Hamiltonian of a given system. The Hamiltonian describes the system's evolution in the absence of dissipation, and is often central to control or interpret an experiment. Here, we…

介观与纳米尺度物理 · 物理学 2025-01-08 Vincent Dumont , Markus Bestler , Letizia Catalini , Gabriel Margiani , Oded Zilberberg , Alexander Eichler

This paper proposes a novel approach to Hamiltonian simulation using Decision Diagrams (DDs), which are an exact representation based on exploiting redundancies in representations of quantum states and operations. While the simulation of…

量子物理 · 物理学 2024-03-04 Aaron Sander , Lukas Burgholzer , Robert Wille

Concise, accurate descriptions of physical systems through their conserved quantities abound in the natural sciences. In data science, however, current research often focuses on regression problems, without routinely incorporating…

计算物理 · 物理学 2020-02-05 Tom Bertalan , Felix Dietrich , Igor Mezić , Ioannis G. Kevrekidis

We study a one-dimensional interacting topological model by means of exact diagonalization method. The topological properties are firstly examined with the existence of the edge states at half-filling. We find that the topological phases…

介观与纳米尺度物理 · 物理学 2015-05-30 Huaiming Guo , Shun-Qing Shen

We investigate quantum phase transitions in two-dimensional superconducting arrays with general capacitance matrices and discrete charge states. We use the perturbation theory together with the simulated annealing method to obtain the…

超导电性 · 物理学 2008-02-03 Beom Jun Kim , Jeenu Kim , Sung Yong Park , M. Y. Choi

In this paper, we present a detailed study on the phase diagrams of superconducting topological surface states, especially, focusing on the interplay between crystalline symmetry and topology of the effective BdG Hamiltonian. We show that…

超导电性 · 物理学 2021-12-21 W. H. Zhao , L. L. Ding , B. W. Zhou , J. Y. Wu , Y. Bai , Z. Y. Man , X. Luo

Phase estimation is a quantum algorithm for measuring the eigenvalues of a Hamiltonian. We propose and rigorously analyse a randomized phase estimation algorithm with two distinctive features. First, our algorithm has complexity independent…

量子物理 · 物理学 2022-08-09 Kianna Wan , Mario Berta , Earl T. Campbell

We show that the Hubbard Hamiltonian with particle-assisted tunneling rates --recently proposed to model a fermionic mixture near a broad Feshbach resonance-- displays a ground state phase diagram with superfluid, insulating, and phase…

量子物理 · 物理学 2009-10-08 Alberto Anfossi , Luca Barbiero , Arianna Montorsi

Recently, there has been an increased interest in the application of machine learning (ML) techniques to a variety of problems in condensed matter physics. In this regard, of particular significance is the characterization of simple and…

强关联电子 · 物理学 2023-11-22 F. A. Gómez Albarracín , H. D. Rosales

We describe a first principles method to calculate scanning tunneling microscopy (STM) images, and compare the results to well-characterized experiments combining STM with atomic force microscopy (AFM). The theory is based on density…

介观与纳米尺度物理 · 物理学 2018-09-14 Alexander Gustafsson , Norio Okabayashi , Angelo Peronio , Franz J. Giessibl , Magnus Paulsson

We discuss the ground-state phase diagram of the one-dimensional Bose-Fermi-Hubbard model (BFHM) in the limit of fast fermions based on an effective boson model. We give a detailed derivation of the effective model with long-range RKKY-type…

量子气体 · 物理学 2019-10-23 Alexander Mering , Michael Fleischhauer

We present a method to control transport in Hamiltonian systems. We provide an algorithm - based on a perturbation of the original Hamiltonian localized in phase space - to design small control terms that are able to create isolated…

混沌动力学 · 物理学 2007-05-23 Guido Ciraolo , Cristel Chandre , Ricardo Lima , Michel Vittot , Marco Pettini , Philippe Ghendrih