The journal publishes research on theoretical and computational investigations of materials and systems. This includes first-principles calculations, density functional theory, and molecular dynamics simulations to predict and analyze electronic, optical, thermal, and mechanical properties. The scope also encompasses the application of machine learning and numerical methods for simulation, optimization, and prediction in areas such as energy applications, nanostructures, and advanced materials.
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.
MultidisciplinaryQ1
Modeling and SimulationQ2
Numerical AnalysisQ2
Statistics and ProbabilityQ2
Subject Classification
Web of Science Categories
Multidisciplinary Sciences
Scopus Categories
Numerical AnalysisMultidisciplinaryStatistics and ProbabilityModeling and Simulation
Research Topics (OpenAlex)
Machine Learning in Materials Science2D Materials and ApplicationsPerovskite Materials and ApplicationsGraphene research and applicationsMXene and MAX Phase MaterialsChalcogenide Semiconductor Thin FilmsQuantum Dots Synthesis And PropertiesMetamaterials and Metasurfaces ApplicationsConducting polymers and applicationsOrganic Electronics and Photovoltaics