output
20012025
most citedCP2K: An Electronic Structure and Molecular Dynamics Software Package -- Quickstep: Efficient and Accurate Electronic Structure Calculations

4.5k citations

Showing quant-phShow all

7 papers · 1 filter

quant-ph2024★ 11 cited

Solving an Industrially Relevant Quantum Chemistry Problem on Quantum Hardware

Ludwig Nützel, Alexander Gresch, Lukas Hehn +10

Quantum chemical calculations are among the most promising applications for quantum computing. Implementations of dedicated quantum algorithms on available quantum hardware were so…

quant-ph2023★ 13 cited

An Optimization Case Study for solving a Transport Robot Scheduling Problem on Quantum-Hybrid and Quantum-Inspired Hardware

Dominik Leib, Tobias Seidel, Sven Jäger +5

We present a comprehensive case study comparing the performance of D-Waves' quantum-classical hybrid framework, Fujitsu's quantum-inspired digital annealer, and Gurobi's state-of-t…

quant-ph2023★ 127 cited

Drug design on quantum computers

Raffaele Santagati, Alan Aspuru-Guzik, Ryan Babbush +12

Quantum computers promise to impact industrial applications, for which quantum chemical calculations are required, by virtue of their high accuracy. This perspective explores the c…

quant-ph2023★ 28 cited

A performance characterization of quantum generative models

Carlos A. Riofrío, Oliver Mitevski, Caitlin Jones +6

Quantum generative modeling is a growing area of interest for industry-relevant applications. With the field still in its infancy, there are many competing techniques. This work is…

quant-ph2023★ 28 cited

Quantum Computing Techniques for Multi-Knapsack Problems

Abhishek Awasthi, Francesco Bär, Joseph Doetsch +16

Optimization problems are ubiquitous in various industrial settings, and multi-knapsack optimization is one recurrent task faced daily by several industries. The advent of quantum…

quant-ph2021★ 23 cited

Representation of binary classification trees with binary features by quantum circuits

Raoul Heese, Patricia Bickert, Astrid Elisa Niederle

We propose a quantum representation of binary classification trees with binary features based on a probabilistic approach. By using the quantum computer as a processor for probabil…