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20112026
most citedQuantum Chemistry in the Age of Quantum Computing

1.5k citations · 2.3k across the 18 of their papers we have counts for

collaborators

19 papers

quant-ph2026

Spectral amplification for ground-state energy estimation of electronic structure in first quantization

Alicja Dutkiewicz, Alec F. White, Guang Hao Low +6

We demonstrate an asymptotic gate complexity improvement in first-quantized ground-state energy estimation of electronic structure Hamiltonians in a plane wave basis by employing t…

quant-ph2024★ 1 cited

Short-time simulation of quantum dynamics by Pauli measurements

Paul K. Faehrmann, Jens Eisert, Maria Kieferova +1

Simulating the dynamics of complex quantum systems is a central application of quantum devices. Here, we propose leveraging the power of measurements to simulate short-time quantum…

quant-ph2024

Prospects for Quantum Computation in Propellant Design: Assessing the Stability of Cyclic Ozone in Nanoscale Confinement

Thomas W. Watts, Matthew Otten, Jason T. Necaise +14

Cyclic ozone additives have the potential to markedly increase the specific impulse of rocket fuel. This would translate to greater efficiency and reduced costs for space lift by g…

quant-ph2024★ 4 cited

Quantum computing for corrosion-resistant materials and anti-corrosive coatings design

Nam Nguyen, Thomas W. Watts, Benjamin Link +14

Corrosion is a pervasive issue that impacts the structural integrity and performance of materials across various industries, imposing a significant economic impact globally. In fie…

quant-ph2023★ 99 cited

Stable Quantum-Correlated Many Body States through Engineered Dissipation

X. Mi, A. A. Michailidis, S. Shabani +164

Engineered dissipative reservoirs have the potential to steer many-body quantum systems toward correlated steady states useful for quantum simulation of high-temperature supercondu…

quant-ph2022★ 14 cited

Non-Abelian braiding of graph vertices in a superconducting processor

Trond I. Andersen, Yuri D. Lensky, Kostyantyn Kechedzhi +166

Indistinguishability of particles is a fundamental principle of quantum mechanics. For all elementary and quasiparticles observed to date - including fermions, bosons, and Abelian…

quant-ph2022★ 2 cited

Generating Approximate Ground States of Molecules Using Quantum Machine Learning

Jack Ceroni, Torin F. Stetina, Maria Kieferova +3

The potential energy surface (PES) of molecules with respect to their nuclear positions is a primary tool in understanding chemical reactions from first principles. However, obtain…

quant-ph2022★ 85 cited

Formation of robust bound states of interacting microwave photons

Alexis Morvan, Trond I. Andersen, Xiao Mi +147

Systems of correlated particles appear in many fields of science and represent some of the most intractable puzzles in nature. The computational challenge in these systems arises w…

quant-ph2021★ 2 cited

Quantum Generative Training Using Rényi Divergences

Maria Kieferova, Ortiz Marrero Carlos, Nathan Wiebe

Quantum neural networks (QNNs) are a framework for creating quantum algorithms that promises to combine the speedups of quantum computation with the widespread successes of machine…

quant-ph2021★ 42 cited

Randomizing multi-product formulas for Hamiltonian simulation

Paul K. Faehrmann, Mark Steudtner, Richard Kueng +2

Quantum simulation, the simulation of quantum processes on quantum computers, suggests a path forward for the efficient simulation of problems in condensed-matter physics, quantum…

quant-ph2020

Entanglement Induced Barren Plateaus

Carlos Ortiz Marrero, Mária Kieferová, Nathan Wiebe

We argue that an excess in entanglement between the visible and hidden units in a Quantum Neural Network can hinder learning. In particular, we show that quantum neural networks th…

quant-ph2019★ 17 cited

Novel Technique for Robust Optimal Algorithmic Cooling

Sadegh Raeisi, Mária Kieferová, Michele Mosca

Heat-bath algorithmic cooling (HBAC) provides algorithmic ways to improve the purity of quantum states. These techniques are complex iterative processes that change from each itera…

quant-ph2018★ 1.5k cited

Quantum Chemistry in the Age of Quantum Computing

Yudong Cao, Jonathan Romero, Jonathan P. Olson +10

Practical challenges in simulating quantum systems on classical computers have been widely recognized in the quantum physics and quantum chemistry communities over the past century…

quant-ph2018★ 65 cited

Simulating the dynamics of time-dependent Hamiltonians with a truncated Dyson series

Maria Kieferova, Artur Scherer, Dominic Berry

We provide a general method for efficiently simulating time-dependent Hamiltonian dynamics on a circuit-model based quantum computer. Our approach is based on approximating the tru…

quant-ph2017★ 142 cited

Improved Techniques for Preparing Eigenstates of Fermionic Hamiltonians

Dominic W. Berry, Mária Kieferová, Artur Scherer +5

Modeling low energy eigenstates of fermionic systems can provide insight into chemical reactions and material properties and is one of the most anticipated applications of quantum…

quant-ph2016★ 168 cited

Tomography and Generative Data Modeling via Quantum Boltzmann Training

Maria Kieferova, Nathan Wiebe

The promise of quantum neural nets, which utilize quantum effects to model complex data sets, has made their development an aspirational goal for quantum machine learning and quant…

quant-ph2014★ 20 cited

On The Power Of Coherently Controlled Quantum Adiabatic Evolutions

Maria Kieferova, Nathan Wiebe

A major challenge facing adiabatic quantum computing is that algorithm design and error correction can be difficult for adiabatic quantum computing. Recent work has considered addr…

quant-ph2012★ 177 cited

Quantum Speedup by Quantum Annealing

Daniel Nagaj, Rolando D. Somma, Maria Kieferova

We study the glued-trees problem of Childs et. al. in the adiabatic model of quantum computing and provide an annealing schedule to solve an oracular problem exponentially faster t…

quant-ph2011

Quantum Walks on Necklaces and Mixing

Maria Kieferova, Daniel Nagaj

We analyze continuous-time quantum walks on necklace graphs - cyclical graphs consisting of many copies of a smaller graph (pearl). Using a Bloch-type ansatz for the eigenfunctions…