Research Articles
Quantum Solutions for Strong Electron Correlation: From Quantum Algorithms to Biomedical Applications
Strong electron correlation presents a fundamental challenge in quantum chemistry, limiting the accuracy of classical computational methods for simulating complex molecules and materials.
Optimizing Quantum Circuit Depth for Chemical Simulations: Strategies for the NISQ Era and Beyond
This article provides a comprehensive guide for researchers and drug development professionals on optimizing quantum circuit depth to enhance the accuracy and feasibility of chemical simulations on near-term quantum hardware.
Density Functional Theory in Modern Drug Discovery: A Comprehensive Guide for Molecular Modeling
This article provides a comprehensive overview of Density Functional Theory (DFT) and its powerful applications in molecular modeling for drug discovery.
Quantum Computed Moments: A New Paradigm for Simulating Molecular Properties in Drug Discovery
This article explores the emerging methodology of quantum computed moments (QCM) for calculating molecular properties, a significant advancement for computational chemistry and drug discovery.
Quantum Algorithms for NMR Shielding Computation: Current Methods, Breakthroughs, and Future Directions for Researchers
This article explores the rapidly evolving landscape of quantum computing applications for calculating Nuclear Magnetic Resonance (NMR) shielding constants—a critical parameter in molecular structure elucidation for drug development and materials...
Quantum Subspace Expansion: Revolutionizing Molecular Energy Calculations for Drug Discovery
This article explores Quantum Subspace Expansion (QSE) as a transformative computational technique for calculating molecular energies, a critical task in drug discovery and development.
Fermion-to-Qubit Mappings: Accelerating Quantum Chemistry Simulations for Drug Discovery
This article provides a comprehensive overview of fermion-to-qubit mappings, a critical component for simulating quantum chemistry on quantum computers.
ADAPT-VQE Methods: A Comprehensive Guide to Adaptive Quantum Chemistry Simulations
This article provides a thorough examination of Adaptive Derivative-Assembled Pseudo-Trotter Variational Quantum Eigensolver (ADAPT-VQE) methods for quantum chemical calculations.
Variational Quantum Eigensolver: Calculating Molecular Ground States for Quantum-Accelerated Drug Discovery
This article provides a comprehensive overview of the Variational Quantum Eigensolver (VQE) for determining molecular ground states, a critical task in computational chemistry with profound implications for drug development.
The Schrödinger Equation in Quantum Chemistry: From Fundamental Theory to Drug Discovery Applications
This article provides a comprehensive exploration of the Schrödinger equation's central role in modern quantum chemistry, tailored for researchers and drug development professionals.