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20182026
most citedQuantum-centric Supercomputing for Materials Science: A Perspective on Challenges and Future Directions

85 citations · 446 across the 42 of their papers we have counts for

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33 papers · 1 filter

quant-ph2026

Quantum Signal Processing for Linear PDEs: Circuit Design and Experimental Validation

Hyeongjin Kim, Revathi Jambunathan, Jan Balewski +1

Quantum algorithms offer new avenues for solving partial differential equations (PDEs). While the potential for end-to-end quantum advantage is at present not well understood, rece…

quant-ph2025

Observation of an anomaly in the statistics of Kibble-Zurek defects

Jan Balewski, Alexey Khudorozhkov, Siva Darbha +8

The Kibble-Zurek mechanism quantifies defect formation during adiabatic passage across a continuous phase transition, providing key insights into universality in quantum many-body…

quant-ph2025

Probing emergent prethermal dynamics and resonant melting on a programmable quantum simulator

Siva Darbha, Alexey Khudorozhkov, Pedro L. S. Lopes +11

The dynamics of isolated quantum systems following a sudden quench plays a central role in many areas of material science, high-energy physics, and quantum chemistry. Featuring com…

quant-ph2025

The Practicality of Randomized Quantum Linear Systems Solvers

Siddharth Hariprakash, Roel Van Beeumen, Katherine Klymko +1

Randomized quantum algorithms have been proposed for quantum linear algebra with the goal of constructing shallower circuits than methods based on block encodings, and have been sp…

quant-ph2025

Quantum Krylov Algorithm for Szegö Quadrature

William Kirby, Yizhi Shen, Daan Camps +3

We present a quantum algorithm to evaluate matrix elements of functions of unitary operators. The method is based on calculating quadrature nodes and weights using data collected f…

quant-ph2025

A Closeness Centrality-based Circuit Partitioner for Quantum Simulations

Doru Thom Popovici, Harlin Lee, Mauro Del Ben +5

Simulating quantum circuits (QC) on high-performance computing (HPC) systems has become an essential method to benchmark algorithms and probe the potential of large-scale quantum c…

quant-ph2025

Quantum Computing Technology Roadmaps and Capability Assessment for Scientific Computing -- An analysis of use cases from the NERSC workload

Daan Camps, Ermal Rrapaj, Katherine Klymko +6

The National Energy Research Scientific Computing Center (NERSC), as the high-performance computing (HPC) facility for the Department of Energy's Office of Science, recognizes the…

quant-ph2025

Efficient Quantum Implementation of Dynamical Mean Field Theory for Correlated Materials

Norman Hogan, Efekan Kökcü, Thomas Steckmann +6

The accurate theoretical description of materials with strongly correlated electrons is a formidable challenge in condensed matter physics and computational chemistry. Dynamical Me…

quant-ph2025

A Practical Framework for Assessing the Performance of Observable Estimation in Quantum Simulation

Siyuan Niu, Efekan Kökcü, Sonika Johri +5

Simulating dynamics of physical systems is a key application of quantum computing, with potential impact in fields such as condensed matter physics and quantum chemistry. However,…

quant-ph2025

QCLAB: A Matlab Toolbox for Quantum Computing

Sophia Keip, Daan Camps, Roel Van Beeumen

We introduce QCLAB, an object-oriented MATLAB toolbox for constructing, representing, and simulating quantum circuits. Designed with an emphasis on numerical stability, efficiency,…

quant-ph2024★ 3 cited

Efficient Measurement-Driven Eigenenergy Estimation with Classical Shadows

Yizhi Shen, Alex Buzali, Hong-Ye Hu +4

Quantum algorithms exploiting real-time evolution under a target Hamiltonian have demonstrated remarkable efficiency in extracting key spectral information. However, the broader po…

quant-ph2024★ 1 cited

Non-Clifford diagonalization for measurement shot reduction in quantum expectation value estimation

Nicolas P. D. Sawaya, Daan Camps, Ben DalFavero +3

Estimating expectation values on near-term quantum computers often requires a prohibitively large number of measurements. One widely-used strategy to mitigate this problem has been…

quant-ph2024

Quantum Rational Transformation Using Linear Combinations of Hamiltonian Simulations

Yizhi Shen, Niel Van Buggenhout, Daan Camps +2

Rational functions are exceptionally powerful tools in scientific computing, yet their abilities to advance quantum algorithms remain largely untapped. In this paper, we introduce…

quant-ph2024★ 6 cited

Long-lived oscillations of metastable states in neutral atom systems

Siva Darbha, Milan Kornjača, Fangli Liu +7

Metastable states arise in a range of quantum systems and can be observed in various dynamical scenarios, including decay, bubble nucleation, and long-lived oscillations. The pheno…

quant-ph2024★ 13 cited

False vacuum decay and nucleation dynamics in neutral atom systems

Siva Darbha, Milan Kornjača, Fangli Liu +7

Metastable states of quantum many-body systems with confinement offer a means to simulate false vacuum phenomenology, including non-equilibrium dynamical processes like decay by nu…

quant-ph2024★ 2 cited

Engineering quantum states with neutral atoms

Jan Balewski, Milan Kornjača, Katherine Klymko +5

Aquila, an analog quantum simulation platform developed by QuEra Computing, supports control of the position and coherent evolution of up to 256 neutral atoms. This study details n…

quant-ph2024

Simple Diagonal State Designs with Reconfigurable Real-Time Circuits

Yizhi Shen, Katherine Klymko, Eran Rabani +4

Unitary designs are widely used in quantum computation, but in many practical settings it suffices to construct a diagonal state design generated with unitary gates diagonal in the…

quant-ph2023★ 1 cited

Measurement reduction for expectation values via fine-grained commutativity

Ben DalFavero, Rahul Sarkar, Jeremiah Rowland +3

We introduce a notion of commutativity between operators on a tensor product space, nominally Pauli strings on qubits, that interpolates between qubit-wise commutativity and (full)…

quant-ph2023★ 85 cited

Quantum-centric Supercomputing for Materials Science: A Perspective on Challenges and Future Directions

Yuri Alexeev, Maximilian Amsler, Paul Baity +124

Computational models are an essential tool for the design, characterization, and discovery of novel materials. Hard computational tasks in materials science stretch the limits of e…

quant-ph2023

Quantum Computing and Visualization: A Disruptive Technological Change Ahead

E. Wes Bethel, Mercy G. Amankwah, Jan Balewski +4

The focus of this Visualization Viewpoints article is to provide some background on Quantum Computing (QC), to explore ideas related to how visualization helps in understanding QC,…

quant-ph2023

Efficient Quantum Counting and Quantum Content-Addressable Memory for DNA similarity

Jan Balewski, Daan Camps, Katherine Klymko +1

We present QCAM, a quantum analogue of Content-Addressable Memory (CAM), useful for finding matches in two sequences of bit-strings. Our QCAM implementation takes advantage of Grov…

quant-ph2023★ 19 cited

HamLib: A library of Hamiltonians for benchmarking quantum algorithms and hardware

Nicolas PD Sawaya, Daniel Marti-Dafcik, Yang Ho +13

In order to characterize and benchmark computational hardware, software, and algorithms, it is essential to have many problem instances on-hand. This is no less true for quantum co…

quant-ph2023★ 3 cited

Estimating Eigenenergies from Quantum Dynamics: A Unified Noise-Resilient Measurement-Driven Approach

Yizhi Shen, Daan Camps, Aaron Szasz +5

Ground state energy estimation in physical, chemical, and materials sciences is one of the most promising applications of quantum computing. In this work, we introduce a new hybrid…

quant-ph2023★ 2 cited

Algebraic Compression of Free Fermionic Quantum Circuits: Particle Creation, Arbitrary Lattices and Controlled Evolution

Efekan Kökcü, Daan Camps, Lindsay Bassman Oftelie +3

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…