The Journal of Chemical Theory and Computation publishes research on theoretical and computational methods for chemistry and chemical physics. Articles focus on the development and application of new algorithms and computational techniques for studying molecular systems, including areas like quantum chemistry, molecular dynamics, and materials science. The journal also covers the application of these methods to understand chemical reactions, molecular properties, and biological processes.
Based on the Think.Check.Submit framework by DOAJ, COPE & OASPA. All data from verified open sources.
Publication & Citation Trend
Articles published
Times cited
2019
2020
2021
2022
2023
2024
2025
2026
Source: OpenAlex · Note: citations accumulate over time so older years appear higher
SJR Quartile by Discipline
Scimago ranks this journal separately in each subject category — its quartile can differ by discipline.
Computer Science ApplicationsQ1
Physical and Theoretical ChemistryQ1
Subject Classification
Web of Science Categories
Chemistry, PhysicalPhysics, Atomic, Molecular & Chemical
Scopus Categories
Computer Science ApplicationsPhysical and Theoretical Chemistry
Research Topics (OpenAlex)
Advanced Chemical Physics StudiesSpectroscopy and Quantum Chemical StudiesProtein Structure and DynamicsMachine Learning in Materials SciencePhotochemistry and Electron Transfer StudiesComputational Drug Discovery MethodsEnzyme Structure and FunctionAdvanced NMR Techniques and ApplicationsMolecular Junctions and NanostructuresRNA and protein synthesis mechanisms