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All Journal Techno.Com: Jurnal Teknologi Informasi JAIS (Journal of Applied Intelligent System) JURIKOM (Jurnal Riset Komputer) JE (Journal of Empowerment) Abdimasku : Jurnal Pengabdian Masyarakat DEDIKASI PKM Jurnal Inovasi Penelitian dan Pengabdian Masyarakat Journal of Multiscale Materials Informatics
Prabowo, Wahyu Aji Eko
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Agriculture, Biological Sciences & Forestry Humanities Biochemistry, Genetics & Molecular Biology Chemical Engineering, Chemistry & Bioengineering Computer Science & IT Control & Systems Engineering Decision Sciences, Operations Research & Management Economics, Econometrics & Finance Education Electrical & Electronics Engineering Engineering Health Professions Industrial & Manufacturing Engineering Materials Science & Nanotechnology Social Sciences Other

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Journal : Journal of Multiscale Materials Informatics

 1 
Development of a Machine Learning Model to Predict the Corrosion Inhibition Ability of Benzimidazole Compounds Safitri, Aprilyani Nur; Trisnapradika, Gustina Alfa; Kurniawan, Achmad Wahid; Prabowo, Wahyu AJi Eko; Akrom, Muhamad
Journal of Multiscale Materials Informatics Vol. 1 No. 1 (2024): April
Publisher : Universitas Dian Nuswantoro

Show Abstract | Download Original | Original Source | Check in Google Scholar | DOI: 10.62411/jimat.v1i1.10464

Abstract

The purpose of this study is to use quantitative structure-property relationship (QSPR)-based machine learning (ML) to examine the corrosion inhibition capabilities of benzimidazole compounds. The primary difficulty in ML development is creating a model with a high degree of precision so that the predictions are correct and pertinent to the material's actual attributes. We assess the comparison between the extra trees regressor (EXT) as an ensemble model and the decision tree regressor (DT) as a basic model. It was discovered that the EXT model had better predictive performance in predicting the corrosion inhibition performance of benzimidazole compounds based on the coefficient of determination (R2) and root mean square error (RMSE) metrics compared DT model. This method provides a fresh viewpoint on the capacity of ML models to forecast potent corrosion inhibitors.
Evaluating Gate-Based Quantum Machine Learning Models on Quantum Chemistry Datasets Prabowo, Wahyu Aji Eko; Akrom, Muhamad
Journal of Multiscale Materials Informatics Vol. 2 No. 1 (2025): April
Publisher : Universitas Dian Nuswantoro

Show Abstract | Download Original | Original Source | Check in Google Scholar | DOI: 10.62411/jimat.v2i1.12950

Abstract

This study evaluates gate-based quantum machine learning (QML) models, including the Variational Quantum Classifier (VQC) and Quantum k-Nearest Neighbors (QkNN), on the QM9 quantum chemistry dataset for binary classification of molecular electronic properties. Using IBM Qiskit, both models were tested on simulators and real quantum hardware. Classical models (LightGBM, SVM, MLP) served as benchmarks. Results show classical models outperform quantum ones, with LightGBM achieving the highest AUC-ROC (0.901). However, VQC on simulators achieved a competitive AUC of 0.781, and real hardware still yielded performance above that of chance. Despite hardware constraints, quantum models demonstrated learning capability. The findings support hybrid quantum-classical systems as a promising near-term approach while quantum hardware continues to evolve
Quantum Machine Learning Models, Limitations, and Opportunities in the NISQ Era: A Review Akrom, Muhamad; Safitri, Aprilyani Nur; Hidayat, Novianto Nur; Prabowo, Wahyu Aji Eko; Budi, Setyo
Journal of Multiscale Materials Informatics Vol. 3 No. 1 (2026): April (In Progress)
Publisher : Universitas Dian Nuswantoro

Show Abstract | Download Original | Original Source | Check in Google Scholar | DOI: 10.62411/jimat.v3i1.15955

Abstract

Quantum machine learning (QML) has emerged as a promising interdisciplinary field that integrates principles of quantum computing with machine learning techniques to address complex computational challenges. By leveraging quantum phenomena such as superposition and entanglement, QML aims to enhance learning efficiency, improve model performance, and enable the exploration of high-dimensional feature spaces that are intractable for classical methods. This paper presents a comprehensive review of recent developments in QML, covering fundamental concepts, algorithmic taxonomies, data encoding techniques, implementation challenges, and real-world applications. Key approaches, including quantum support vector machines (QSVM), variational quantum circuits (VQC), and quantum neural networks (QNN), are systematically analyzed. Furthermore, critical challenges, including noisy intermediate-scale quantum (NISQ) limitations, barren plateaus, data encoding bottlenecks, and the lack of demonstrated quantum advantage, are discussed in detail. The review also highlights emerging applications in material informatics, energy systems, healthcare, and optimization problems. Finally, future research directions are outlined, emphasizing the need for advancements in quantum hardware, scalable algorithms, hybrid frameworks, and standardized benchmarking. This work aims to provide a structured perspective on the current state of QML and to identify opportunities in deploy it effectively in solve real-world problems.
Co-Authors Achmad Wahid Kurniawan Adi, Ilham Arif Kuncoro Adriansyah, Vicky Puja Ajisaputra, Faris Prasetya Akrom, Muhamad Almasah, Muhammad Rakha Ayasy, Ahmad Yahya Ayu Pertiwi Budi, Setyo Harun Al Azies Herowati, Wise Hidayat, Novianto Nur Hidayatulloh, Ryan Maulana Wahyu Ibrahim Maulana, Isyeh Rafi Moch Anjas Aprihartha Muhammad Naufal Nadia Itona Siregar, Nadia Itona Noor Ageng Setiyanto, Noor Ageng Nugraini, Siti Hadiati Pratama, Avrilyan Putra Bintang Purnomo, Zaky Dwi Putrawan, Zulhandi Riadi, Denny Fajar Safitri, Aprilyani Nur Sijabat, Glen Fierre Sitohang, Bramudya Toguando Sudibyo, Usman Trisnapradika, Gustina Alfa Wibawa, Tangkas Surya Wibawa, Vincentius Hadianta Zulfiningrum, Rahmawati