Journal of Chemical Theory and Computation

Journal Title
Journal of Chemical Theory and Computation

J. Chem. Theory Comput.

ISSN / eISSN
1549-9618 / 1549-9626
Aims and Scope
The Journal of Chemical Theory and Computation publishes papers reporting new theories, methodology in quantum electronic structure, molecular dynamics, and statistical mechanics and/or their important applications. Specific topics include advances in ab initio quantum mechanics, density functional theory, design and properties of new materials, surface science, Monte Carlo simulations, solvation models, QM/MM calculations, biomolecular structure prediction, and molecular dynamics in the broadest sense, including gas-phase dynamics, ab initio dynamics, biomolecular dynamics, and protein folding/phase separation. New theories for quantum computers and their applications are welcome, as well as the combination of data science, theory, and computations relevant to chemistry. We also welcome papers on computational chemistry packages that present innovative methods. The Journal does not consider papers that are straightforward applications on only single-class systems of well-established methods, including DFT, traditional wave function theories, and molecular dynamics. The Journal favors submissions that include advances in theory, methodology, and data science with applications to compelling problems in chemistry and materials science.
Subject Area

PHYSICS, ATOMIC, MOLECULAR & CHEMICAL

CHEMISTRY, PHYSICAL

CiteScore
10.90 View Trend
CiteScore Ranking
Category Quartile Rank
Computer Science - Computer Science Applications Q1 #58/792
Computer Science - Physical and Theoretical Chemistry Q1 #19/185
Web of Science Core Collection
Science Citation Index Expanded (SCIE) Social Sciences Citation Index (SSCI)
Indexed -
Category (Journal Citation Reports 2023) Quartile
CHEMISTRY, PHYSICAL - SCIE Q2
PHYSICS, ATOMIC, MOLECULAR & CHEMICAL - SCIE Q1
H-index
146
Country/Area of Publication
UNITED STATES
Publisher
American Chemical Society
Publication Frequency
Monthly
Year Publication Started
2005
Annual Article Volume
613
Open Access
NO
Contact
AMER CHEMICAL SOC, 1155 16TH ST, NW, WASHINGTON, USA, DC, 20036
Verified Reviews
Note: Verified reviews are sourced from across review platforms and social media globally.
Why are there so few comments in the comment section? The article was submitted at the end of February last year and received review comments in early April. The reviewers were very fair, and we agreed with their suggestions. Afterward, we re-ran some of the data and made revisions in September. It was quickly accepted. This journal can be considered of high quality in terms of reviewer standards.
2022-04-14

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