Journal of Chemical Theory and Computation
Note: The following journal information is for reference only. Please check the journal website for updated information prior to submission.
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
9.90
View Trend
CiteScore Ranking
Category | Quartile | Rank |
---|---|---|
Chemistry - Physical and Theoretical Chemistry | Q1 | #23/189 |
Chemistry - Computer Science Applications | Q1 | #101/817 |
Web of Science Core Collection
Science Citation Index Expanded (SCIE) | Social Sciences Citation Index (SSCI) |
---|---|
Indexed | - |
Category (Journal Citation Reports 2024) | Quartile |
---|---|
CHEMISTRY, PHYSICAL | Q2 |
PHYSICS, ATOMIC, MOLECULAR & CHEMICAL | Q1 |
H-index
146
Country/Area of Publication
UNITED STATES
Publisher
American Chemical Society
Publication Frequency
Monthly
Year Publication Started
2005
Annual Article Volume
760
Open Access
NO
Contact
AMER CHEMICAL SOC, 1155 16TH ST, NW, WASHINGTON, USA, DC, 20036
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