Journal of Chemical Theory and Computation

Scope & Guideline

Leading Research in Chemical Theory and Computational Science

Introduction

Delve into the academic richness of Journal of Chemical Theory and Computation with our guidelines, detailing its aims and scope. Our resource identifies emerging and trending topics paving the way for new academic progress. We also provide insights into declining or waning topics, helping you stay informed about changing research landscapes. Evaluate highly cited topics and recent publications within these guidelines to align your work with influential scholarly trends.
LanguageEnglish
ISSN1549-9618
PublisherAMER CHEMICAL SOC
Support Open AccessNo
CountryUnited States
TypeJournal
Convergefrom 2005 to 2024
AbbreviationJ CHEM THEORY COMPUT / J. Chem. Theory Comput.
Frequency12 issues/year
Time To First Decision-
Time To Acceptance-
Acceptance Rate-
Home Page-
Address1155 16TH ST, NW, WASHINGTON, DC 20036

Aims and Scopes

The Journal of Chemical Theory and Computation (JCTC) is dedicated to the intersection of chemical theory and computational methodologies. It serves as a platform for disseminating significant advancements in computational chemistry, emphasizing the development and application of theoretical methods to solve complex chemical problems.
  1. Computational Chemistry:
    The journal focuses on computational methods and their applications in chemistry, targeting areas such as quantum chemistry, molecular dynamics, and statistical mechanics.
  2. Molecular Modeling:
    Research involving the modeling of molecular systems using theoretical frameworks to predict molecular behavior, properties, and interactions.
  3. Machine Learning in Chemistry:
    An emerging focus on integrating machine learning techniques with traditional computational methods to enhance predictive accuracy and efficiency.
  4. Quantum Chemistry:
    Papers often delve into quantum mechanical approaches, including density functional theory (DFT), coupled cluster methods, and quantum dynamics.
  5. Interdisciplinary Approaches:
    JCTC encourages interdisciplinary research that combines chemistry with fields such as materials science, biology, and environmental science.
  6. Benchmarking and Method Development:
    A significant emphasis on benchmarking new methods against established standards to validate their accuracy and applicability in practical scenarios.
The Journal of Chemical Theory and Computation is witnessing a notable shift in research themes, reflecting the rapid advancements in computational methods and interdisciplinary approaches. Recent publications highlight several emerging topics that are becoming increasingly relevant in the field.
  1. Machine Learning Applications:
    The integration of machine learning techniques into computational chemistry is trending, with researchers applying these methods to enhance predictive capabilities and optimize molecular simulations.
  2. Quantum Computing in Chemistry:
    An increasing number of studies are exploring the application of quantum computing to solve complex chemical problems, indicating a growing interest in this cutting-edge field.
  3. Enhanced Sampling Techniques:
    Research focusing on enhanced sampling methods, such as metadynamics and adaptive biasing, is on the rise, reflecting a need for more efficient exploration of complex energy landscapes.
  4. Multiscale Modeling Approaches:
    There is a growing trend towards multiscale modeling that combines different levels of theory to address complex chemical systems, allowing for more accurate and comprehensive simulations.
  5. Coupled Quantum-Classical Methods:
    The development of hybrid methods that integrate quantum mechanical and classical approaches is gaining traction, particularly for studying systems with significant electronic correlation.
  6. Nonadiabatic Dynamics:
    Research into nonadiabatic processes, particularly in the context of photochemistry and excited-state dynamics, is becoming more prevalent, reflecting the importance of these phenomena in chemical reactions.

Declining or Waning

While the Journal of Chemical Theory and Computation continues to thrive in several core areas, some themes have shown a decline in frequency or prominence in recent years. This may reflect evolving research interests or advancements in computational capabilities that allow for more sophisticated methodologies.
  1. Traditional Molecular Dynamics:
    While still important, traditional, non-enhanced molecular dynamics simulations are being overshadowed by more sophisticated sampling techniques and hybrid methods that combine various approaches.
  2. Empirical Force Field Models:
    As machine learning and quantum methods gain traction, reliance on classical empirical force fields for molecular simulations appears to be decreasing, with fewer studies focusing solely on these methods.
  3. Static Analysis Techniques:
    The focus on static energy calculations and analyses is waning, as dynamic, time-resolved studies gain popularity, reflecting a shift towards understanding molecular processes over time.

Similar Journals

CHEMPHYSCHEM

Fostering High-Impact Discoveries in Theoretical and Experimental Science
Publisher: WILEY-V C H VERLAG GMBHISSN: 1439-4235Frequency: 24 issues/year

CHEMPHYSCHEM, published by WILEY-V C H VERLAG GMBH in Germany, stands as a pivotal resource for researchers and professionals in the fields of Atomic and Molecular Physics, as well as Physical and Theoretical Chemistry. With a commendable impact across its converged years from 2000 to 2024, the journal is categorized in the second quartile (Q2) for both aforementioned fields according to the 2023 metrics, underscoring its significance in advancing scientific dialogue and research. CHEMPHYSCHEM is committed to disseminating high-quality, peer-reviewed research articles that delve into the intricate interplay between chemistry and physics, making it an essential read for students and experts alike. The journal does not currently offer open access options, allowing for focused scholarly discussions that cater to the academic community's needs. As reflected in its Scopus rankings, CHEMPHYSCHEM maintains respectable standings, ranking #84/224 and #90/189 in its respective categories, demonstrating its commitment to high-impact research and innovation.

Physical Chemistry Research

Empowering global access to pioneering physical chemistry findings.
Publisher: IRANIAN CHEMICAL SOCISSN: 2322-5521Frequency: 4 issues/year

Physical Chemistry Research, published by the Iranian Chemical Society, is an esteemed academic journal dedicated to advancing knowledge within the fields of *Fluid Flow and Transfer Processes*, *Physical and Theoretical Chemistry*, and *Statistical and Nonlinear Physics*. Since its inception in 2013, the journal has established a crucial platform for researchers, professionals, and students to share innovative findings and methodologies, enhancing collaboration and knowledge dissemination in the physical chemistry community. With impactful contributions recognized in Quartile 3 and Quartile 4 classifications across various categories, the journal is positioned to cultivate emerging research trends as it continues to converge through 2024. Researchers can benefit from diverse perspectives on crucial phenomena in physical chemistry, as the journal is indexed in prominent databases, further increasing accessibility and visibility. The *open access* policy ensures that cutting-edge research remains available to a broad audience, promoting the growth of the discipline globally.

JOURNAL OF PHYSICAL CHEMISTRY A

Connecting researchers to the latest in physical chemistry.
Publisher: AMER CHEMICAL SOCISSN: 1089-5639Frequency: 51 issues/year

Journal of Physical Chemistry A, published by the American Chemical Society, serves as a leading platform for disseminating high-quality research in the fields of physical and theoretical chemistry. With an ISSN of 1089-5639 and E-ISSN of 1520-5215, this journal maintains a rigorous standard, demonstrated by its position in the Q2 category for both physical and theoretical chemistry as well as miscellaneous medicine within its 2023 category quartiles. As part of the greater ACS network, it operates with a solid Scopus rank of 76/189, placing it within the 60th percentile, emphasizing its credibility and impact in the chemistry community. The journal's objective is to enhance the understanding of molecular phenomena through innovative experimental and computational approaches, making it essential reading for researchers, professionals, and students seeking to advance their knowledge and contribute to scientific discussion. With additional open access options, the Journal of Physical Chemistry A continues to foster collaboration and the sharing of ideas in the vibrant scientific landscape of the United States and beyond.

JOURNAL OF COMPUTATIONAL CHEMISTRY

Advancing the Frontiers of Computational Chemistry
Publisher: WILEYISSN: 0192-8651Frequency: 32 issues/year

The Journal of Computational Chemistry, published by Wiley, is a premier platform in the fields of computational chemistry and computational mathematics. Established in 1980 and continuing through 2024, this journal serves as an essential resource for researchers, professionals, and students seeking to advance their understanding and application of computational methods in chemical research. With a commendable impact factor and ranking in the top quartile (Q2) for both Chemistry and Computational Mathematics, it boasts impressive Scopus rankings—22nd out of 189 in Computational Mathematics and 102nd out of 408 in General Chemistry, indicating its strong influence within these scientific communities. While it does not offer open access, the Journal of Computational Chemistry remains a vital venue for disseminating groundbreaking research and fostering collaboration in the computational science landscape. For those at the forefront of innovation, staying abreast of the latest findings published here is indispensable for advancing their work in theoretical and applied chemistry.

JOURNAL OF MOLECULAR MODELING

Bridging Theory and Application in Molecular Research
Publisher: SPRINGERISSN: 1610-2940Frequency: 1 issue/year

JOURNAL OF MOLECULAR MODELING, published by Springer, is a pivotal resource for researchers and professionals in the fields of chemistry, computer science, and molecular sciences. The journal's ISSN is 1610-2940, with an E-ISSN of 0948-5023, reflecting its commitment to disseminating cutting-edge research from 1996 to 2024. Although the journal does not operate under an Open Access model, it remains an invaluable platform for the publication of innovative studies related to computational methods, theoretical chemistry, and molecular simulations. With a notable categorization across multiple quartiles—including Q4 in Catalysis and Q3 in Computational Theory and Mathematics—the journal holds a distinct rank in Scopus, highlighting its influence and contribution to the discipline. The importance of this journal lies in its ability to bridge the gap between theoretical understanding and practical applications, making it essential reading for students and scholars seeking to advance their knowledge and research in molecular modeling.

THEORETICAL CHEMISTRY ACCOUNTS

Advancing the Frontiers of Theoretical Chemistry
Publisher: SPRINGERISSN: 1432-881XFrequency: 1 issue/year

THEORETICAL CHEMISTRY ACCOUNTS is a prestigious journal dedicated to promoting the advancement of theoretical and computational chemistry. Published by Springer, this journal has become a vital resource for researchers, professionals, and students seeking to explore innovative theoretical approaches in chemistry since its inception in 1996. With a current impact factor positioning it in the Q3 category of Physical and Theoretical Chemistry, it underscores its importance in the academic landscape, ranking 113 out of 189 in its field according to Scopus. The journal embraces an Open Access model, making cutting-edge research widely accessible to the global community. Researchers are encouraged to submit their latest findings and theoretical advancements, contributing to the ever-expanding body of knowledge within this dynamic field. Addressing contemporary challenges and breakthroughs, THEORETICAL CHEMISTRY ACCOUNTS serves as an essential platform for dialogue and discovery among scholars dedicated to the intersection of chemistry and theory.

CHINESE JOURNAL OF CHEMICAL PHYSICS

Fostering Collaboration in the World of Chemical Physics
Publisher: CHINESE PHYSICAL SOCISSN: 1674-0068Frequency: 6 issues/year

Chinese Journal of Chemical Physics, published by the Chinese Physical Society, serves as a pivotal platform for advancing the field of chemical physics, encompassing groundbreaking research and innovative methodologies since its inception in 2000. With an ISSN of 1674-0068 and E-ISSN of 2327-2244, the journal has established itself within the academic community, reflected in its 2023 classification as Q3 in Physical and Theoretical Chemistry and a Scopus rank of #142 out of 189, representing the 25th percentile in this competitive field. Although it does not currently operate as an open-access publication, its commitment to disseminating pivotal scientific research continues to attract scholars and professionals alike. The journal aims to bridge the gap between theoretical principles and practical applications in chemical physics, thereby fostering collaboration and innovation. By contributing significantly to the discourse in this dynamic domain, the Chinese Journal of Chemical Physics remains an essential resource for researchers, professionals, and students eager to stay abreast of contemporary developments.

Journal of Cheminformatics

Transforming data into discovery in cheminformatics.
Publisher: BMCISSN: 1758-2946Frequency: 1 issue/year

Journal of Cheminformatics, published by BMC, is a premier open-access journal that has been a cornerstone of cheminformatics research since its inception in 2009. With an ISSN of 1758-2946, this journal operates from the heart of the United Kingdom, providing a dynamic platform for disseminating high-quality, peer-reviewed articles that explore the integration of computer science with chemistry. The journal proudly stands in the prestigious Q1 category across multiple disciplines, including Computer Graphics, Computer-Aided Design, and Library and Information Sciences, showcasing its exceptional impact in the fields of cheminformatics and computational chemistry. Additionally, it ranks impressively in various Scopus categories, with notable placements such as #7 in Library and Information Sciences and #15 in Physical and Theoretical Chemistry, demonstrating its significance to the academic community. As a leader in open-access publishing, the Journal of Cheminformatics ensures that cutting-edge research and innovations are freely accessible to researchers, professionals, and students alike, fostering collaboration and advancement in this rapidly evolving field.

INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY

Connecting Quantum Principles with Chemical Innovation
Publisher: WILEYISSN: 0020-7608Frequency: 24 issues/year

International Journal of Quantum Chemistry is a distinguished scholarly publication that has been at the forefront of advancements in the realm of quantum chemistry since its inception in 1967. Published by Wiley in the United States, this journal holds a significant place in the academic community, currently indexed in the Q3 quartile across various categories including Atomic and Molecular Physics, Condensed Matter Physics, and Physical and Theoretical Chemistry. With an ISSN of 0020-7608 and an E-ISSN of 1097-461X, the journal offers a platform for researchers and professionals to disseminate cutting-edge findings in quantum chemical research. While it operates under a traditional subscription model, the journal remains committed to enhancing the visibility of its contributions within the scientific community. With a convergence of research that spans from 1967 to 2024, the International Journal of Quantum Chemistry is pivotal for anyone looking to advance their understanding and application of quantum principles in chemistry, providing valuable insights into the microscopic interactions that govern matter and its properties.

ACTA CHIMICA SLOVENICA

Connecting Researchers to Shape the Future of Chemistry
Publisher: SLOVENSKO KEMIJSKO DRUSTVOISSN: 1318-0207Frequency: 4 issues/year

ACTA CHIMICA SLOVENICA is a distinguished peer-reviewed journal dedicated to advancing the field of chemistry, published by the SLOVENSKO KEMIJSKO DRUSTVO. With an ISSN of 1318-0207 and E-ISSN 1580-3155, this journal has been an essential resource for researchers and professionals since its inception in 1996. Recognized for its commitment to open access since 1998, it fosters global collaboration by making research widely available. Based in Slovenia, the journal operates with a focus on various domains within chemistry, achieving a respectable Q3 ranking in 2023 within the miscellaneous chemistry category on Scopus, showcasing its impact and relevance. This journal serves as a vital platform for innovative research, reviews, and discoveries, aiming to enhance knowledge and ignite curiosity in a diverse readership, including students and emerging scholars in the field.