Roel Van Beeumen

Roel Van Beeumen
Lawrence Berkeley National Laboratory | LBL · Computational Research Division (CRD)

PhD in Engineering Science: Computer Science

About

45
Publications
3,487
Reads
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493
Citations
Citations since 2017
35 Research Items
423 Citations
2017201820192020202120222023020406080100120
2017201820192020202120222023020406080100120
2017201820192020202120222023020406080100120
2017201820192020202120222023020406080100120
Additional affiliations
June 2019 - present
Lawrence Berkeley National Laboratory
Position
  • Researcher
September 2016 - May 2019
Lawrence Berkeley National Laboratory
Position
  • PostDoc Position
April 2015 - August 2016
KU Leuven
Position
  • PostDoc Position
Education
October 2011 - April 2015
KU Leuven
Field of study
  • Engineering Science: Computer Science
September 2010 - July 2011
KU Leuven
Field of study
  • Archaeology
September 2008 - July 2010
KU Leuven
Field of study
  • Mathematical Engineering

Publications

Publications (45)
Article
We present an efficient and reliable algorithm for solving a class of nonlinear eigenvalue problems arising from the modeling of particle accelerator cavities. The eigenvalue nonlinearity in these problems results from the use of waveguides to couple external power sources or to allow certain excited electromagnetic modes to exit the cavity. We use...
Article
The ab initio description of the spectral interior of the absorption spectrum poses both a theoretical and computational challenge for modern electronic structure theory. Due to the often spectrally dense character of this domain in the quantum propagator's eigenspectrum for medium-to-large sized systems, traditional approaches based on the partial...
Article
Full-text available
We propose a new uniform framework of compact rational Krylov (CORK) methods for solving large-scale nonlinear eigenvalue problems $A(\lambda) x = 0$. For many years, linearizations were used for solving polynomial and rational eigenvalue problems. On the other hand, for the general nonlinear case, $A(\lambda)$ can first be approximated by a (ratio...
Article
Full-text available
This paper considers interpolating matrix polynomials P(λ) in Lagrange and Hermite bases. A classical approach to investigating the polynomial eigenvalue problem P(λ) x = 0 is linearization, by which the polynomial is converted into a larger matrix pencil with the same eigenvalues. Since the current linearizations of degree n Lagrange polynomials c...
Article
Full-text available
This paper proposes a new rational Krylov method for solving the nonlinear eigenvalue problem: A(λ)x = 0. The method approximates A(λ) by Hermite interpolation where the degree of the interpolating polynomial and the interpolation points are not fixed in advance. It uses a companion-type reformulation to obtain a linear generalized eigenvalue probl...
Preprint
Recently we developed a local and constructive algorithm based on Lie algebraic methods for compressing Trotterized evolution under Hamiltonians that can be mapped to free fermions. The compression algorithm yields a circuit which scales linearly in the number of qubits, is fixed depth for for arbitrarily long evolution times and is applicable to t...
Preprint
We introduce qclab++, a light-weight, fully-templated C++ package for GPU-accelerated quantum circuit simulations. The code offers a high degree of portability as it has no external dependencies and the GPU kernels are generated through OpenMP offloading. qclab++ is designed for performance and numerical stability through highly optimized gate simu...
Preprint
Full-text available
Compact quantum data representations are essential to the emerging field of quantum algorithms for data analysis. We introduce two new data encoding schemes, QCrank and QBArt, which have a high degree of quantum parallelism through uniformly controlled rotation gates. QCrank encodes a sequence of real-valued data as rotations of the data qubits, al...
Preprint
The physics of dirty bosons highlights the intriguing interplay of disorder and interactions in quantum systems, playing a central role in describing, for instance, ultracold gases in a random potential, doped quantum magnets, and amorphous superconductors. Here, we demonstrate how quantum computers can be used to elucidate the physics of dirty bos...
Article
Full-text available
We introduce a novel and uniform framework for quantum pixel representations that overarches many of the most popular representations proposed in the recent literature, such as (I)FRQI, (I)NEQR, MCRQI, and (I)NCQI. The proposed QPIXL framework results in more efficient circuit implementations and significantly reduces the gate complexity for all co...
Preprint
Block-encodings of matrices have become an essential element of quantum algorithms derived from the quantum singular value transformation. This includes a variety of algorithms ranging from the quantum linear systems problem to quantum walk, Hamiltonian simulation, and quantum machine learning. Many of these algorithms achieve optimal complexity in...
Article
We propose several techniques to enhance the parallel scalability of a matrix-free eigensolver designed for studying many-body localization (MBL) of quantum spin chain models with nearest-neighbor interactions and on-site disorder. This type of problem is computationally challenging because the dimension of the associated Hamiltonian matrix grows e...
Preprint
Full-text available
Many standard linear algebra problems can be solved on a quantum computer by using recently developed quantum linear algebra algorithms that make use of block encoding and quantum eigenvalue / singular value transformations. Block encoding embeds a properly scaled matrix of interest $A$ in a larger unitary transformation $U$ that can be decomposed...
Article
Unitary evolution under a time-dependent Hamiltonian is a key component of simulation on quantum hardware. Synthesizing the corresponding quantum circuit is typically done by breaking the evolution into small time steps, also known as Trotterization, which leads to circuits the depth of which scales with the number of steps. When the circuit elemen...
Article
Full-text available
Dynamic simulation of materials is a promising application for near-term quantum computers. Current algorithms for Hamiltonian simulation, however, produce circuits that grow in depth with increasing simulation time, limiting feasible simulations to short-time dynamics. Here, we present a method for generating circuits that are constant in depth wi...
Preprint
Full-text available
We introduce a novel and uniform framework for quantum pixel representations that overarches many of the most popular representations proposed in the recent literature, such as (I)FRQI, (I)NEQR, MCRQI, and (I)NCQI. The proposed QPIXL framework results in more efficient circuit implementations and significantly reduces the gate complexity for all co...
Preprint
Quantum computing is a promising technology that harnesses the peculiarities of quantum mechanics to deliver computational speedups for some problems that are intractable to solve on a classical computer. Current generation noisy intermediate-scale quantum (NISQ) computers are severely limited in terms of chip size and error rates. Shallow quantum...
Preprint
Unitary evolution under a time dependent Hamiltonian is a key component of simulation on quantum hardware. Synthesizing the corresponding quantum circuit is typically done by breaking the evolution into small time steps, also known as Trotterization, which leads to circuits whose depth scales with the number of steps. When the circuit elements are...
Preprint
Dynamic simulation of materials is a promising application for noisy intermediate-scale quantum (NISQ) computers. The difficulty in carrying out such simulations is that a quantum circuit must be executed for each time-step, and in general, these circuits grow in size with the number of time-steps simulated. NISQ computers can only produce high-fid...
Preprint
We propose a flexible power method for computing the leftmost, i.e., algebraically smallest, eigenvalue of an infinite dimensional tensor eigenvalue problem, $H x = \lambda x$, where the infinite dimensional symmetric matrix $H$ exhibits a translational invariant structure. We assume the smallest eigenvalue of $H$ is simple and apply a power iterat...
Preprint
Full-text available
In [Van Beeumen, et. al, HPC Asia 2020, https://www.doi.org/10.1145/3368474.3368497] a scalable and matrix-free eigensolver was proposed for studying the many-body localization (MBL) transition of two-level quantum spin chain models with nearest-neighbor $XX+YY$ interactions plus $Z$ terms. This type of problem is computationally challenging becaus...
Article
One of the challenges in quantum computing is the synthesis of unitary operators into quantum circuits with polylogarithmic gate complexity. Exact synthesis of generic unitaries requires an exponential number of gates in general. We propose a novel approximate quantum circuit synthesis technique by relaxing the unitary constraints and interchanging...
Article
We present a greedy algorithm for computing selected eigenpairs of a large sparse matrix H that can exploit localization features of the eigenvector. When the eigenvector to be computed is localized, meaning only a small number of its components have large magnitudes, the proposed algorithm identifies the location of these components in a greedy ma...
Article
The fast Fourier transform (FFT) is one of the most successful numerical algorithms of the 20th century and has found numerous applications in many branches of computational science and engineering. The FFT algorithm can be derived from a particular matrix decomposition of the discrete Fourier transform (DFT) matrix. In this paper, we show that the...
Article
Simulating chemical systems on quantum computers has been limited to a few electrons in a minimal basis. We demonstrate experimentally that the virtual quantum subspace expansion (Takeshita, T.; Phys. Rev. X 2020, 10, 011004, 10.1103/PhysRevX.10.011004) can achieve full basis accuracy for hydrogen and lithium dimers, comparable to simulations requi...
Preprint
One of the challenges in quantum computing is the synthesis of unitary operators into quantum circuits with polylogarithmic gate complexity. Exact synthesis of generic unitaries requires an exponential number of gates in general. We propose a novel approximate quantum circuit synthesis technique by relaxing the unitary constraints and interchanging...
Preprint
The fast Fourier transform (FFT) is one of the most successful numerical algorithms of the 20th century and has found numerous applications in many branches of computational science and engineering. The FFT algorithm can be derived from a particular matrix decomposition of the discrete Fourier transform (DFT) matrix. In this paper, we show that the...
Preprint
Several novel methods for performing calculations relevant to quantum chemistry on quantum computers have been proposed but not yet explored experimentally. Virtual quantum subspace expansion [T. Takeshita et al., Phys. Rev. X 10, 011004 (2020)] is one such algorithm developed for modeling complex molecules using their full orbital space and withou...
Conference Paper
We present a scalable and matrix-free eigensolver for studying two-level quantum spin chain models with nearest-neighbor XX +YY interactions plus Z terms. In particular, we focus on the Heisenberg interaction plus random on-site fields, a model that is commonly used to study the many-body localization (MBL) transition. This type of problem is compu...
Preprint
We present a greedy algorithm for computing selected eigenpairs of a large sparse matrix $H$ that can exploit localization features of the eigenvector. When the eigenvector to be computed is localized, meaning only a small number of its components have large magnitudes, the proposed algorithm identifies the location of these components in a greedy...
Article
The Green’s function coupled cluster (GFCC) method, originally proposed in the early 1990s, is a powerful many-body tool for computing and analyzing the electronic structure of molecular and periodic systems, especially when electrons of the system are strongly correlated. However, in order for the GFCC to become a method that may be routinely used...
Preprint
The Green's function coupled cluster (GFCC) method is a powerful many-body tool for computing the electronic structure of molecular and periodic systems, especially when electrons of the system are strongly correlated. However, for the GFCC to be routinely used in the electronic structure calculations, robust numerical techniques and approximations...
Article
Full-text available
The modal characteristics of structures are usually computed disregarding any interaction with the soil. This paper presents a finite element-perfectly matched layers model to compute the modal characteristics of 2D and 3D coupled soil-structure systems while taking fully into account dynamic soil-structure interaction. The methodology can facilita...
Article
Full-text available
Modal analysis of structures is usually performed based on finite element models where the structures are considered undamped and fixed at their base, disregarding any interaction with the soil. In some cases though, these modeling assumptions may lead to erroneous estimates. This paper presents a finite element-perfectly matched layers model which...
Article
Full-text available
We present an algorithm to compute the pseudospectral abscissa for a nonlinear eigenvalue problem. The algorithm relies on global under-estimator and over-estimator functions for the eigenvalue and singular value functions involved. These global models follow from eigenvalue perturbation theory. The algorithm has three particular features. First, i...
Article
We consider the nonlinear eigenvalue problem M(λ)x = 0, where M(λ) is a large parameter-dependent matrix. In several applications, M(λ) has a structure where the higher-order terms of its Taylor expansion have a particular low-rank structure. We propose a new Arnoldi-based algorithm that can exploit this structure. More precisely, the proposed algo...
Article
Full-text available
A new rational Krylov method for the efficient solution of nonlinear eigenvalue problems, $A(backslash lambda)x = 0$, is proposed. This iterative method, called fully rational Krylov method for nonlinear eigenvalue problems (abbreviated as NLEIGS), is based on linear rational interpolation and generalizes the Newton rational Krylov method proposed...
Article
Full-text available
We present a nonlinear eigenvalue solver enabling the calculation of bound solutions of the Schrödinger equation in a system with contacts. We discuss how the imposition of contacts leads to a nonlinear eigenvalue problem and discuss the numerics for a one- and two-dimensional potential. We reformulate the problem so that the eigenvalue problem can...
Article
Full-text available
A continuous dynamical system is stable if all eigenvalues lie strictly in the left half of the complex plane. However, this is not a robust measure because stability is no longer guaranteed when the system parameters are slightly perturbed. Therefore, the pseudospectrum of a matrix and its pseudospectral abscissa are studied. Mostly, one is often...
Article
Finite element models for structures and vibrations often lead to second order dynamical systems with large sparse matrices. For large‐scale finite element models, the computation of the frequency response function and the structural response to dynamic loads may present a considerable computational cost. Padé via Krylov methods are widely used and...
Conference Paper
Full-text available
Balanced truncation is a widely used and appreciated projection‐based model reduction technique for linear systems. This technique has the following two important properties: approximations by balanced truncation preserve the stability and the H ∞ ‐norm (the maximum of the frequency response) of the error system is bounded above by twice the su...

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