Article Per Year (5 Year)
p-Index From 2021 - 2026
1.798
P-Index
This Author published in this journals
All Journal Rechtsnormen Journal of Law Journal Neosantara Hybrid Learning Darussalam: Journal of Psychology and Educational Media of Health Research International Journal of Educational Insights and Innovations (IJEDINS) Journal of Computer Science Advancements Journal of Selvicoltura Asean Techno Agriculturae Studium of Research Journal of Social Entrepreneurship and Creative Technology Journal of Humanities Research Sustainability
Li Wei
SuZhou University
Agriculture, Biological Sciences & Forestry Humanities Computer Science & IT Decision Sciences, Operations Research & Management Dentistry Education Health Professions Languange, Linguistic, Communication & Media Law, Crime, Criminology & Criminal Justice Mathematics Medicine & Pharmacology Nursing Public Health Social Sciences Veterinary Other

Published : 12 Documents Claim Missing Document
Claim Missing Document
Check
Articles

Found 1 Documents
Search
Journal : Journal of Computer Science Advancements

 1 
QUANTUM ADVANTAGE HAS ARRIVED: TANGIBLE IMPACTS ON DRUG DISCOVERY AND NEW MATERIALS Wei, Li; Hui, Zhou; Yang, Liu
Journal of Computer Science Advancements Vol. 3 No. 5 (2025)
Publisher : Yayasan Adra Karima Hubbi

Show Abstract | Download Original | Original Source | Check in Google Scholar | DOI: 10.70177/jsca.v3i5.3325

Abstract

The advancement of computational chemistry is currently stalled by the exponential memory scaling required to simulate strongly correlated electron systems on classical supercomputers. This fundamental barrier significantly impedes the rational design of complex pharmaceuticals and next-generation catalytic materials. This research aims to rigorously validate the immediate utility of Noisy Intermediate-Scale Quantum (NISQ) processors, demonstrating that “Quantum Advantage” has shifted from a theoretical milestone to a practical industrial reality. We employed a comparative research design utilizing the Variational Quantum Eigensolver (VQE) algorithm on the IBM Eagle quantum processor. The study targeted the electronic structure of iron-sulfur clusters and KRAS-G12C inhibitor binding sites, benchmarking quantum outputs against classical Density Functional Theory (DFT) and Full Configuration Interaction (FCI) standards, utilizing Zero-Noise Extrapolation for error mitigation. Results indicate that quantum simulations achieved chemical accuracy (within 1.6 kcal/mol) for these complex systems, whereas classical methods failed with deviations exceeding 8 kcal/mol. The data confirms that quantum hardware can now resolve electronic correlations invisible to classical approximation. We conclude that quantum computing offers a tangible, immediate pathway to accelerate discovery cycles in drug development and material science, necessitating the integration of hybrid quantum workflows into modern R&D pipelines.
Co-Authors Ananda, Fiqih Ananda, Rizky Aulia, Hafidzatul Desmita Desmita Fernandez, Carloz Gonzales, Samnatha Hui, Zhou Khan, Omar Khasanah, Wirdatul Kumar, Rohan Liu Yang Mahmuda, Nafila Na, Li Nurhayati Nurhayati Nurlatipah, Nurlatipah Rustiyana, Rustiyana Suryani, Ni Kadek Tan, Ethan Wang Jun Widyani, Retno Zhang Li