Quantum Chemistry Research Repository

Access in-depth studies on molecular simulations, electronic structure theories, and quantum computational advancements

Research Articles

Beyond Brute Force: Strategies to Minimize Operator Pool Size for Enhanced Measurement Efficiency in Drug Discovery

This article addresses the critical challenge of optimizing operator pool size to maximize measurement efficiency in biomedical research and drug development.

Elijah Foster
Dec 02, 2025

Minimal Complete Operator Pools for ADAPT-VQE: A Guide to Efficient Quantum Chemistry Simulations

This article provides a comprehensive guide to minimal complete operator pools for the ADAPT-VQE algorithm, a leading method for quantum chemistry simulations on near-term quantum hardware.

Lillian Cooper
Dec 02, 2025

Strategies for Reducing CNOT Depth in ADAPT-VQE Circuits: A Guide for Quantum Chemistry Simulations

Reducing the CNOT gate depth of quantum circuits is a critical challenge for implementing the ADAPT-VQE algorithm on current NISQ-era hardware.

Emily Perry
Dec 02, 2025

Shot-Efficient ADAPT-VQE: Reducing Quantum Measurement Overhead for Practical Drug Discovery

This article explores the critical challenge of quantum measurement overhead in the Adaptive Variational Quantum Eigensolver (ADAPT-VQE), a promising algorithm for molecular simulation in drug development.

Scarlett Patterson
Dec 02, 2025

Commutativity-Based Grouping for Hamiltonian Measurement: Strategies to Overcome the Quantum Measurement Bottleneck in Drug Development

Efficiently estimating the expectation value of complex Hamiltonians is a critical bottleneck in variational quantum algorithms, particularly for quantum chemistry and drug discovery applications on near-term quantum hardware.

Benjamin Bennett
Dec 02, 2025

AIM-ADAPT-VQE: A Shot-Efficient Measurement Protocol for Quantum Drug Discovery

This article explores the Adaptive Informationally Complete Measurement (AIM) protocol for the Adaptive Derivative-Assembled Problem-Tailored Variational Quantum Eigensolver (ADAPT-VQE), a pivotal advancement for applying quantum computing to drug discovery.

Sofia Henderson
Dec 02, 2025

Optimizing Gradient Measurements in Adaptive VQE: Advanced Strategies for Quantum Chemistry and Drug Discovery

Adaptive Variational Quantum Eigensolvers (ADAPT-VQE) are promising for molecular simulation on near-term quantum devices but face a critical bottleneck: the overwhelming measurement overhead required for gradient-based operator selection and parameter...

Camila Jenkins
Dec 02, 2025

AIM-ADAPT-VQE: How Informationally Complete Measurements Are Revolutionizing Quantum Chemistry for Drug Discovery

This article explores the groundbreaking integration of informationally complete generalized measurements with the ADAPT-VQE algorithm, a synergy that dramatically reduces the quantum resource overhead essential for practical molecular simulations on...

Aaron Cooper
Dec 02, 2025

Qubit-ADAPT-VQE: A Hardware-Efficient Path to Quantum Advantage in Drug Discovery

This article explores Qubit-ADAPT-VQE, an adaptive variational quantum algorithm that constructs hardware-efficient ansatze directly on quantum processors.

Lily Turner
Dec 02, 2025

Variance-Based Shot Allocation: Maximizing Quantum Circuit Efficiency for Computational Drug Development

This article explores variance-based shot allocation, a critical technique for optimizing quantum measurement resources in the Noisy Intermediate-Scale Quantum (NISQ) era.

Nolan Perry
Dec 02, 2025

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