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We introduce a novel method for clustering using a semidefinite programming (SDP) relaxation of the Max k-Cut problem. The approach is based on a new methodology for rounding the solution of an SDP relaxation using iterated linear…

Optimization and Control · Mathematics 2022-07-07 Pedro Felzenszwalb , Caroline Klivans , Alice Paul

Density functional theory (DFT) is a fundamental method for simulating quantum chemical properties, but it remains expensive due to the iterative self-consistent field (SCF) process required to solve the Kohn-Sham equations. Recently, deep…

Computational Physics · Physics 2025-10-23 Seongsu Kim , Nayoung Kim , Dongwoo Kim , Sungsoo Ahn

This paper presents a homogenization framework for elastomeric metamaterials exhibiting long-range correlated fluctuation fields. Based on full-scale numerical simulations on a class of such materials, an ansatz is proposed that allows to…

Soft Condensed Matter · Physics 2018-10-29 O. Rokoš , M. M. Ameen , R. H. J. Peerlings , M. G. D. Geers

Dynamical mean-field theory (DMFT) is one of the most standard theoretical frameworks for addressing strongly correlated electron systems. Meanwhile, the concept of holography, developed in the field of quantum gravity, provides an…

Strongly Correlated Electrons · Physics 2026-01-29 Kouichi Okunishi , Akihisa Koga

We present an impurity solver based on adaptively truncated Hilbert spaces. The solver is particularly suitable for dynamical mean-field theory in circumstances where quantum Monte Carlo approaches are ineffective. It exploits the sparsity…

Strongly Correlated Electrons · Physics 2017-08-30 Ara Go , Andrew J. Millis

In this paper, we propose an efficient and flexible algorithm to solve dynamic mean-field planning problems based on an accelerated proximal gradient method. Besides an easy-to-implement gradient descent step in this algorithm, a crucial…

Optimization and Control · Mathematics 2021-03-01 Jiajia Yu , Rongjie Lai , Wuchen Li , Stanley Osher

We introduce real-time density matrix embedding theory (DMET), a dynamical quantum embedding theory for computing non-equilibrium electron dynamics in strongly correlated systems. As in the previously developed static DMET, real-time DMET…

Chemical Physics · Physics 2017-11-03 Joshua S. Kretchmer , Garnet Kin-Lic Chan

Mean-field treatment (MFT) is frequently applied to approximately predict the dynamics of quantum optics systems, to simplify the system Hamiltonian through neglecting certain modes that are driven strongly or couple weakly with other…

Quantum Physics · Physics 2023-12-19 Yue-Xun Huang , Ming Li , Zi-Jie Chen , Xu-Bo Zou , Guang-Can Guo , Chang-Ling Zou

We developed a general framework for hybrid quantum-classical computing of molecular and periodic embedding approaches based on an orbital space separation of the fragment and environment degrees of freedom. We demonstrate its potential by…

Chemical Physics · Physics 2024-12-23 Stefano Battaglia , Max Rossmannek , Vladimir V. Rybkin , Ivano Tavernelli , Jürg Hutter

A new numerical method for the solution of the Dynamical Mean Field Theory's self-consistent equations is introduced. The method uses the Density Matrix Renormalization Group technique to solve the associated impurity problem. The new…

Strongly Correlated Electrons · Physics 2016-08-31 Daniel J. Garcia , Karen Hallberg , Marcelo J. Rozenberg

In this work we propose a method to perform optimization on manifolds. We assume to have an objective function $f$ defined on a manifold and think of it as the potential energy of a mechanical system. By adding a momentum-dependent kinetic…

Numerical Analysis · Mathematics 2023-08-30 Marta Ghirardelli

We consider data assimilation for the heat equation using a finite element space semi-discretization. The approach is optimization based, but the design of regularization operators and parameters rely on techniques from the theory of…

Numerical Analysis · Mathematics 2016-09-19 Erik Burman , Lauri Oksanen

Dynamical Mean Field Theory (DMFT) provides an asymptotic description of the dynamics of macroscopic observables in certain disordered systems. Originally pioneered in the context of spin glasses by Sompolinsky and Zippelius (1982), it has…

Disordered Systems and Neural Networks · Physics 2026-03-17 Yatin Dandi , David Gamarnik , Francisco Pernice , Lenka Zdeborová

The classical dynamic programming-based optimal stochastic control methods fail to cope with nonseparable dynamic optimization problems as the principle of optimality no longer applies in such situations. Among these notorious nonseparable…

Portfolio Management · Quantitative Finance 2013-03-06 Xiangyu Cui , Xun Li , Duan Li

We propose new quantum algorithms for thermal and ground state preparation based on system-bath interactions. These algorithms require only forward evolution under a system-bath Hamiltonian in which the bath is a single reusable ancilla…

Quantum Physics · Physics 2025-12-19 Zhiyan Ding , Yongtao Zhan , John Preskill , Lin Lin

We study the effect of spatially nonlocal correlations on the nonequilibrium dynamics of interacting fermions by constructing the nonequilibrium dynamical cluster theory, a cluster generalization of the nonequilibrium dynamical mean-field…

Strongly Correlated Electrons · Physics 2015-07-13 Naoto Tsuji , Peter Barmettler , Hideo Aoki , Philipp Werner

We study relaxation dynamics in a strongly-interacting two-site Fermi-Hubbard model that is induced by coupling each site to a local fermionic bath. To derive the proper form of the Lindblad operators that enter an effective description of…

Strongly Correlated Electrons · Physics 2020-04-02 Eric Kleinherbers , Nikodem Szpak , Jürgen König , Ralf Schützhold

Density Functional Theory (DFT) allows for predicting all the chemical and physical properties of molecular systems from first principles by finding an approximate solution to the many-body Schr\"odinger equation. However, the cost of these…

Machine Learning · Computer Science 2025-06-03 Majdi Hassan , Cristian Gabellini , Hatem Helal , Dominique Beaini , Kirill Neklyudov

We present a functional interpolation approach within the auxiliary master equation framework to efficiently and accurately solve correlated impurity problems in nonequilibrium dynamical mean-field theory (DMFT). By leveraging a near-exact…

Strongly Correlated Electrons · Physics 2025-06-13 Daniel Werner , Enrico Arrigoni

Isolated quantum many-body systems which thermalize under their own dynamics are expected to act as their own thermal baths, thereby bringing their local subsystems to thermal equilibrium. Here we show that the infinite-dimensional limit of…

Strongly Correlated Electrons · Physics 2025-03-25 Antonio Picano , Giulio Biroli , Marco Schirò