
Wiley Interdisciplinary Reviews: Computational Molecular Science (commonly abbreviated as WIREs Comp Mol Sci) is a high-impact, peer-reviewed scientific journal that serves as a vital resource for researchers, educators, and professionals in the fields of computational chemistry, molecular modeling, and theoretical molecular science. Published by Wiley, this interdisciplinary journal provides comprehensive review articles that cover both foundational concepts and the latest developments in the rapidly evolving domain of computational molecular science.
Since its inception, WIREs Comp Mol Sci has positioned itself as a go-to publication for high-quality, in-depth review articles. The journal stands out by offering content that bridges traditional disciplinary boundaries—connecting chemistry, physics, biology, materials science, and computer science. Its primary focus is on how computational methods are used to understand, predict, and design molecular systems.
Researchers rely on this journal to stay updated on topics like quantum chemistry, molecular dynamics, drug design, machine learning in chemistry, and multiscale modeling. These articles are written by leading experts and structured in a way that benefits both seasoned researchers and newcomers to the field.
WIREs Comp Mol Sci explores a broad range of subjects, including but not limited to:
Quantum Mechanical Methods
Molecular Dynamics and Simulations
Chemoinformatics and Molecular Databases
Multiscale Modeling and Hybrid Methods
Artificial Intelligence and Machine Learning in Molecular Science
Materials and Biomolecular Modeling
Solvation and Intermolecular Interactions
Each article is designed to not only summarize current research but also identify gaps and suggest future research directions, making it highly valuable for academic and industrial R&D teams alike.
The journal has consistently maintained a strong Impact Factor, reflecting its importance and reliability in the scientific community. Its articles are widely cited, contributing significantly to research and development across academia, pharmaceuticals, biotechnology, and materials engineering.
Moreover, the interdisciplinary nature of the journal encourages collaboration and cross-pollination of ideas between different scientific fields, which is essential for driving innovation in molecular science.
WIREs Comp Mol Sci follows an online-only, open-access model for many of its articles, ensuring wide accessibility and global reach. The journal is indexed in major databases like Web of Science, Scopus, and PubMed, which enhances its visibility and ensures that its content is discoverable by a global audience.
Wiley Interdisciplinary Reviews: Computational Molecular Science (WIREs CMS) is a prestigious, peer-reviewed scientific journal that serves as a comprehensive resource for researchers, academics, and professionals working at the intersection of chemistry, biology, physics, and computational science. Published by Wiley, this journal stands out for its interdisciplinary approach, offering in-depth, high-quality review articles that cover a wide spectrum of topics related to computational molecular science.
Launched in 2011, WIREs Computational Molecular Science is part of the broader Wiley Interdisciplinary Reviews (WIREs) series, which aims to bridge the gap between disciplines by offering expert overviews and insights. The journal focuses on computational methods and their application in molecular science, including theoretical chemistry, quantum chemistry, molecular modeling, molecular dynamics, and bioinformatics.
It provides a platform for leading scientists to present state-of-the-art developments, emerging techniques, and significant challenges in the field. WIREs CMS is not a traditional research journal but rather a review journal, emphasizing scholarly reviews that summarize the current understanding of important topics.
WIREs CMS covers a wide range of areas within computational molecular science, such as:
Quantum mechanics and electronic structure
Molecular mechanics and simulations
Statistical thermodynamics
Machine learning in molecular modeling
Multiscale modeling techniques
Computational drug design
Systems biology and bioinformatics
Software development and computational tools
By exploring both foundational concepts and cutting-edge innovations, the journal ensures that readers stay informed about the latest trends and technological advances.
WIREs CMS boasts an internationally renowned editorial board composed of leading experts in computational chemistry and related disciplines. The journal follows a rigorous peer-review process to ensure the accuracy, clarity, and significance of each published article.
As of recent data, WIREs CMS holds a high impact factor, reflecting its influence and authority within the scientific community. It is widely cited and respected, making it a go-to resource for scientists, educators, and students seeking reliable information and insights.
Authors choose WIREs CMS for its reputation, reach, and scholarly quality. Publishing in this journal offers:
High visibility within the scientific and academic communities
Association with a trusted and well-established publisher (Wiley)
Contribution to the advancement of interdisciplinary science
Opportunities to highlight emerging topics and technologies
Wiley Interdisciplinary Reviews: Computational Molecular Science (WIREs Computational Molecular Science or WIREs CMS) is a leading peer-reviewed journal that sits at the intersection of chemistry, physics, biology, and computer science. As part of Wiley's prestigious WIREs series, this journal provides in-depth reviews and critical analysis of current research trends in computational molecular science. Its interdisciplinary nature makes it a valuable resource for researchers, academicians, and professionals in the molecular sciences domain.
The scope of WIREs Computational Molecular Science encompasses all aspects of computational techniques and their applications in molecular-level science. This includes the development, validation, and use of computational models and tools to understand molecular structures, properties, dynamics, and interactions. The journal publishes articles that cover both methodological advances and application-driven research.
Topics commonly covered include:
Quantum chemistry and molecular electronic structure
Classical and ab initio molecular dynamics
Statistical mechanics and thermodynamics
Multiscale modeling and simulation
Machine learning in molecular science
Computational spectroscopy
Cheminformatics and bioinformatics
Modeling of biomolecular systems
Unlike traditional journals, WIREs Computational Molecular Science specializes in comprehensive review articles rather than original research papers. These articles are authored by experts and offer in-depth insights into both foundational concepts and cutting-edge developments in the field. Each review is designed to be accessible yet authoritative, making it ideal for both newcomers and seasoned researchers.
The journal also supports interdisciplinary approaches. It encourages submissions that bridge gaps between chemistry, physics, biology, materials science, and computational methods, providing a truly integrative perspective.
The journal is targeted toward a broad audience including:
Academic researchers in chemistry, biology, physics, and materials science
Graduate and postgraduate students in molecular sciences
Computational scientists and software developers in chemical and pharmaceutical industries
Policy makers and educators interested in the advancement of molecular modeling
With a strong impact factor and a reputation for quality, WIREs CMS is frequently cited in top-tier journals. It’s indexed in major databases like Web of Science, Scopus, and PubMed, enhancing its visibility and reach.