The JOURNAL OF COMPUTER CHEMISTRY-JAPAN focuses on computational and theoretical investigations of chemical systems. Recent articles explore the application of quantum chemical calculations, density functional theory (DFT), and molecular dynamics (MD) simulations to understand molecular structures, interactions, and reaction mechanisms. The journal also features research utilizing machine learning (ML) for property prediction and the development of computational tools for materials science and drug discovery.
AI-summarised from recent articles · verify on the publisher page
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Subject Classification
Web of Science Categories
Chemistry, Multidisciplinary
Research Topics (OpenAlex)
Advanced Chemical Physics StudiesComputational Drug Discovery MethodsAnalytical Chemistry and ChromatographyHistory and advancements in chemistryVarious Chemistry Research TopicsSpectroscopy and Quantum Chemical StudiesMachine Learning in Materials ScienceProtein Structure and DynamicsMolecular Junctions and NanostructuresCrystallography and molecular interactions